Active compound: Thymidine

Indications: Hepatitis b virus (hbv) infection

Target: Thymidine kinase

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: 17-Phenyl-Trinor-PGF2alpha

Indications: Glaucoma, ocular hypertension

Target: Prostaglandin receptors

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Colterol

Indications: Asthma, COPD

Target: β2 adrenergic receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: AZT triphosphate

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Drostanolone

Indications: Na

Target: na

Active compound: Drostanolone

Indications: Na

Target: Androgen receptor

Active compound: Boldenone

Indications: Doping within bodybuilding

Target: Androgen receptor

Active compound: 4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole

Indications: Hypertension

Target: β1- and β2- adrenoceptors

Active compound: Cidofovir

Indications: Infection with human cytomegalovirus; Adenovirus

Target: Cytomegalovirus (CMV) DNA Polymerase

Active compound: BMS-540215

Indications: Hepatocellular cancer

Target: VEGFR-2/FGFR-1 kinase inhibitor

Active compound: Acyclovir

Indications: Herpes simplex virus infections

Target: na

Active compound: Candesartan

Indications: Hypertension

Target: Angiotensin ii receptor

Active compound: Candoxatrilat

Indications: heart failure

Target: Neutral endopeptidase and ACE

Active compound: Bis[bis(2-chloroethyl)amino]phosphinate

Indications: Colon and breast carcinoma

Target: DNA

Active compound: Testosterone

Indications: Stimulates the growth of the prostate as well as the seminal vesicles; Enhance athletic performance

Target: na

Active compound: Canrenone

Indications: Hypertension (R1)

Target: Mineralocorticoid receptor

Active compound: Fluorouracil

Indications: Candida or Cryptococcus neoformans fungal infections

Target: Thymidylate synthase (TS); DNA; RNA

Active compound: Carbenicillin

Indications: Chronic infections of the upper and lower urinary tract and in asymptomatic bacteriuria due to susceptible strains of bacteria.

Target: Penicillin binding protein

Active compound: Carbenicillin

Indications: Gram-negative bacterial infection

Target: Penicillin-sensitive transpeptidase c-terminal domain

Active compound: Meprobamate

Indications: Painful muscle spasms

Target: GABAA receptors

Active compound: Fluorouracil

Indications: Breast and GI cancer

Target: Thymidylate synthase

Active compound: Phosphoramide mustard

Indications: Prostate cancer

Target: na

Active compound: 11β-MNT

Indications: Na

Target: na

Active compound: Zaurategrast

Indications: Multiple sclerosis (MS)

Target: Integrin alpha-4

Active compound: Cefamandole

Indications: Bacterial Infections

Target: Penicillin-binding protein 2

Active compound: 7-chlorokynurenic acid

Indications: Prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma

Target: N-methyl-D-aspartate (NMDA) receptor

Active compound: Cefcapene

Indications: Palmoplantar pustulosis (PPP), Bacterial Infections

Target: Penicillin binding protein

Active compound: Cefditoren

Indications: Throat and lung infections, including bronchitis and tonsillitis

Target: Penicillin binding protein

Active compound: Cefotiam

Indications: Surgical infection, postoperative infections, bacterial septicaemia, bone and joint infections, cholangitis, cholecystitis, peritonitis, prostatitis, pyelonephritis, respiratory tract infections, skin and soft tissue infections, cystitis, urethritis, and infections caused by susceptible organisms

Target: Penicillin binding protein 1A. 1B and 3 of E. Coli

Active compound: Cefpodoxim

Indications: Gram-positive and Gram-negative bacterial infection

Target: Penicillinases and cephalosporinases

Active compound: Ceftaroline

Indications: Acute bacterial skin infections; Community-acquired bacterial pneumonia

Target: Bacterial penicillin-binding protein (ChEMBL)

Active compound: Cefteram

Indications: Laryngopharyngitis,tonsillitis, acute bronchitis, pneumonia, chronic bron-chitis, diffuse panbronchiolitis, infected bronchiec-tasis and other infective chronic respiratory diseases

Target: Penicillin binding protein

Active compound: Ceftizoxime

Indications: Bacterial Infections

Target: Penicillin binding protein

Active compound: Ceftobiprole

Indications: Hospital-acquired pneumonia (HAP) and community-acquired pneumonia (CAP)

Target: Penicillin-binding proteins (PBPs)

Active compound: Cefuroxime

Indications: Bronchitis, sinusitis, tonsillitis, ear infections, skin infections, gonorrhea, and urinary tract infections.

Target: Penicillin-binding protein 1A

Active compound: Cefuroxime

Indications: Na

Target: Penicillin binding protein

Active compound: Furane Epoxide metabolite

Indications: Lung Cancer

Target: DNA

Active compound: CEP-5214

Indications: Brain tumors and colon carcinoma

Target: Pan vascular endothelial growthfactors (VEGF) kinase

Active compound: Triapine

Indications: Lung carcinoma

Target: Ribonucleotide reductase

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: DOPAC

Indications: Lung, ovary and breast cancer

Target: Tyrosine kinases

Active compound: Afimoxifene

Indications: Breast cancer

Target: Estrogen receptor

Active compound: Afimoxifene

Indications: Breast cancer

Target: Estrogen receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Adamantamine

Indications: Parkinson’s disease (PD)

Target: Glutamate receptor ionotropic, NMDA

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Phenylacetate

Indications: Cystic fibrosis (WL2); hyperammonemia (R1)

Target: Histone deacetylase (WL2)

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Phenylmethaneselenol

Indications: Kidney cancer

Target: na

Active compound: Trichloroethanol

Indications: Sedative-hypnoticdrug

Target: Barbiturate recognition site on GABA-A receptors

Active compound: Chloramphenicol

Indications: Bacterial infection

Target: 50S ribosomal subunit

Active compound: Chloramphenicol

Indications: Bacterial infection

Target: 50S ribosomal subunit

Active compound: Chloramphenicol

Indications: Typhoid fever, salmonella septicaemia

Target: 50S ribosomal subunit

Active compound: Triphenylethylene

Indications: Hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias

Target: Estrogen receptor

Active compound: Desisobutyrylciclesonide

Indications: Asthma and allergic rhinitis

Target: Glucocorticoid receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: DTXSID30473723

Indications: Malignant melanoma

Target: Thymidylate synthase and DNA synthesis

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: 5-FU

Indications: liver, lung, adrenal, testis, and prostate cancers

Target: Thymidylate synthase

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: AZT triphosphate

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: SN-38

Indications: Cancer

Target: DNA topoisomerase I inhibitor

Active compound: SN-38

Indications: Cancer

Target: DNA topoisomerase I inhibitor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: SCHEMBL5341592

Indications: P. aeruginosa

Target: na

Active compound: SCHEMBL14517194

Indications: P. aeruginosa

Target: na

Active compound: 9-AC

Indications: Cancer

Target: Beta-glucuronidase-positive cells

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: γ-hydroxybutyrate

Indications: Myeloproliferative disease; Narcolepsy

Target: GABA-B receptor; DNA

Active compound: Abiraterone

Indications: Prostate cancer

Target: 17 α-hydroxylase/C17,20-lyase (CYP17)

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Cidofovir diphosphate

Indications: Cytomegalovirus (CMV)

Target: Viral DNA

Active compound: Cilazaprilat

Indications: Hypertension and heart failure

Target: Angiotensin-converting enzyme (ace)

Active compound: 3-Hydroxyphenazepam

Indications: Anxiety, insomnia, muscle spasm, alcohol withdrawal and seizures

Target: Benzodiazepine receptors

Active compound: Stavudine

Indications: Tuberculosis

Target: Reverse transcriptase/RnaseH

Active compound: Clindamycin

Indications: Infections due to susceptible strains of streptococci; Prosthetic valve endocarditis

Target: 23S RNA of the 50S subunit of the ribosome

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Clindamycin

Indications: Gram-positive infections, anaerobic infections, and methicillin-resistant staphlococcal and streptococcal infections

Target: Apurinic/apyrimidinic Endonuclease 1 

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: D-amphetamine

Indications: Attention deficit hyperactivity disorder (ADHD),obesity and a body mass index (BMI) of 30 kg/m2 or higher who have not responded to an appropriate weight-reducing regimen alone

Target: Sodium-dependent dopamine transporter

Active compound: Clofarabine triphosphate

Indications: Relapsed or refractory acute lymphoblastic leukemia

Target: DNA polymerase

Active compound: clofibric acid

Indications: Obesity complicated with cardiac disorders

Target: na

Active compound: Clopidogrel Thiol Metabolite

Indications: Myocardial infraction, stroke and vascular death

Target: Platelet p2y12 receptor

Active compound: Nordazepam

Indications: Epilepsy

Target: GABA-A receptors

Active compound: Clostebol

Indications: Used as dermatological ointment, Banned performance enhancing drug

Target: na

Active compound: Clostebol

Indications: Banned performance enhancing drug

Target: na

Active compound: Clostebol

Indications: Banned performance enhancing drug

Target: na

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Chlordesmethyldiazepam

Indications: Anxiety, insomnia, muscle spasm, alcohol withdrawal and seizures

Target: Benzodiazepine receptors

Active compound: Tenofovir

Indications: Hiv infections and chronic hepatitis b

Target: Cellular Reverse Transcriptase inhibitor

Active compound: Morphine

Indications: Pain, Cough, Diarrhea

Target: μ-opioid receptors

Active compound: Colistin

Indications: Chronic Bacterial infection

Target: Bacterial outer membrane

Active compound: Combretastatin A1

Indications: Thyroid cancer

Target: Tubulin

Active compound: TAK-456

Indications: Pulmonary aspergillosis

Target: na

Active compound: FTC

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: 4-Hydroxy-cyclophosphamide

Indications: Cancers, autoimmune disorders, and al amyloidosis

Target: DNA (alkylating agent)

Active compound: Cytarabine triphosphate

Indications: Acute leukaemia

Target: DNA polymerases

Active compound: Dabigatran

Indications: Anticoagulant

Target: Prothrombin

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Dabigatran

Indications: Venous thromboembosis

Target: Prothrombin enzyme

Active compound: 5-Aminoimidazole-4-Carboxamide

Indications: malignant melanoma, Hodgkin's lymphoma, sarcoma, and islet cell carcinoma of the pancreas.

Target: na

Active compound: Hydrogen peroxide

Indications: Cancer

Target: DNA, Proteins and Lipids

Active compound: Tezampanel

Indications: Migraine

Target: AMPA- and KA-subtype ionotropic Glu receptors

Active compound: DC-81

Indications: Cancer

Target: DNA minor groove

Active compound: D-methamphetamine

Indications: Na

Target: na

Active compound: D-amphetamine

Indications: Attention deficit disorder, hyperactivity and narcolepsy

Target: na

Active compound: 21-desacetyldeflazacort

Indications: Duchenne muscular dystrophy

Target: Glucocorticoid receptor

Active compound: Delamanid- intermediates (still to-be-identified) (R6)

Indications: Tuberculosis

Target: Mycolic acid synthesis

Active compound: 5-hydroxydelapril diacid

Indications: Hypertension and heart failure

Target: Converting enzyme inhibitor (CEI); ACE inhibitor

Active compound: Lamivudine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Delapril diacid

Indications: Hypertension and heart failure

Target: Converting enzyme inhibitor (CEI); ACE inhibitor

Active compound: Aciclovir triphosphate

Indications: Infection caused by herpesvirus family, including herpes simplex virus type 1, herpes simplex virus type 2, varicella-zoster virus, and Epstein-Barr virus (1, 2, 6, 20, 31, 32)

Target: DNA polymerase

Active compound: 3-keto-desogestrel

Indications: Contraception

Target: Progesterone receptor, Estrogen receptor

Active compound: ADR-925

Indications: Cardiomyopathy

Target: Topoisomerase II

Active compound: Dextrorphan

Indications: Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma, cough

Target: Sigma non-opioid intracellular receptor 1; HCG20471, isoform CRA_c; Glutamate receptor ionotropic, NMDA 3A

Active compound: Clozapine

Indications: Schizophrenia 

Target: Dopamine D2 receptor; 5-hydroxytryptamine receptor 2A

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Rhein

Indications: Osteoarthritis

Target: Interleukin-1 (R1)

Active compound: Morphine

Indications: Severe pain

Target: na

Active compound: Diethylstilbestrol

Indications: Prostate cancer

Target: Estrogen receptor alpha; Estrogen receptor beta

Active compound: Lamivudine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Diloxanide

Indications: Asymptomatic (cyst passers) intestinal amebiasis; E. histolytica cysts

Target: Protein synthesis

Active compound: Monomethyl fumarate

Indications: Disseminated Sclerosis

Target: na

Active compound: Stavudine

Indications: Tuberculosis

Target: Reverse transcriptase/RnaseH

Active compound: Parthenolide

Indications: Leukemia and breast cancer

Target: Transcription factor NF-κB.

Active compound: Epinephrine

Indications: Open-angle glaucoma

Target: Adrenergic receptor

Active compound: 9S-erythromycyclamine

Indications: Bronchitis; Pneumonia; Tonsillitis; Skin infections

Target: 23S-component of the 50S-subunit of prokaryotic ribosomes

Active compound: Dopamine

Indications: Refractory ascites

Target: Dopamine receptor D1

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Doxorubicin

Indications: Breast cancer, Bladder cancer and Cervical cancer

Target: DNA topoisomerase 2-alpha, DNA

Active compound: 5-Fluorouracil

Indications: Stomach cancer; Breast cancer

Target: Thymidylate synthase

Active compound: Lamivudine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: AZT triphosphate

Indications: HIV-AIDS (R1)

Target: HIV-reverse transcriptase and cellular DNA polymerases (Ref 2)

Active compound: Valproic acid

Indications: epilepsy, migraine, bipolar, mood, anxiety and psychiatric disorders; cancer, HIV therapy, and neurodegenerative disease

Target: Voltage gated ion channels; HDAC; GABA transaminase; Aldehyde dehydrogenase 5 family member A1

Active compound: Piroxicam

Indications: Pain and inflammation

Target: Cyclooxygenase (COX)

Active compound: Norepinephrine

Indications: Orthostatic dizziness, lightheadedness, or the ‘‘feeling that you are about to black out’’ in adult patients, Parkinsonism

Target: Adrenergic receptor

Active compound: Doxorubicin

Indications: Breast, colon, prostate, and lung cancers

Target: DNA topoisomerase 2-alpha

Active compound: Carebastine

Indications: Allergic rhinitis

Target: H1-receptor

Active compound: Cytarabine triphosphate

Indications: Lung cancer, malignant melanoma and ovarian cancer

Target: DNA and RNA synthesis

Active compound: Enalaprilat

Indications: Hypertension, symptomatic heart failure, and asymptomatic left ventricular dysfunction

Target: Angiotensin-converting-enzyme inhibitor

Active compound: Cytarabine triphosphate

Indications: Acute leukaemia

Target: DNA polymerases

Active compound: Hydroquinone form of EO9

Indications: Breast and lung cancer

Target: DNA minor grove

Active compound: Lamivudine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Epirubicin

Indications: Cancer

Target: Topoisomerase II

Active compound: Erythromycin

Indications: Respiratory tract infections, skin infections, chlamydia infections, pelvic inflammatory disease, and syphilis

Target: 23S ribosomal RNA molecule in the 50S subunit of ribosomes

Active compound: Erythromycin A

Indications: Respiratory tract infections, skin infections, chlamydia infections, pelvic inflammatory disease, and syphilis

Target: 23S ribosomal RNA molecule in the 50S subunit of ribosomes

Active compound: Erythromycin

Indications: Respiratory tract infections, skin infections, chlamydia infections, pelvic inflammatory disease, and syphilis

Target: 23S ribosomal RNA molecule in the 50S subunit of ribosomes

Active compound: Eslicarbazepine

Indications: Partial-onset seizures

Target: P2X purinoceptor 4

Active compound: Hydroxyomeprazole

Indications: Acid-reflux disorders; Gastroesophageal reflux disease (GERD); Bacterial Infection Due to Helicobacter Pylori (H. Pylori); Zollinger-Ellison Syndrome

Target: (H+,K+)-ATPase

Active compound: Estradiol

Indications: Vasomotor and urogenital symptoms associated with menopause

Target: Estrogen Receptor (ER) including ERα and ERβ subtypes

Active compound: Estradiol

Indications: Terminate pregnancy; Menstrual disorder; Prostate cancer

Target: Estrogen Receptor (ER) including ERα and ERβ subtypes

Active compound: Estradiol

Indications: Moderate to severe vasomotor symptoms associated with menopause; Hypoestrogenism due to hypogonadism 

Target: Estrogen Receptor (ER) including ERα and ERβ subtypes; NR3A (ESR)(KEGG)

Active compound: Estradiol

Indications: Contraceptive for women

Target: Estrogen Receptor (ER)

Active compound: FTC

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Estradiol

Indications: Contraceptive for women

Target: Estrogen Receptor (ER)

Active compound: Estradiol

Indications: Prostate cancer

Target: Estrogen receptor beta; Estrogen receptor alpha

Active compound: 17β-estradiol

Indications: Infertility, hormone replacement therapy

Target: Estrogen receptor

Active compound: Estramustine

Indications: Prostate cancer

Target: Tubulin beta

Active compound: Estriol

Indications: Na

Target: na

Active compound: Estriol

Indications: Na

Target: na

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Norethisterone

Indications: Na

Target: Progesterone receptor and estrogen receptor alpha (KEGG)

Active compound: Norethisterone

Indications: For the prevention of pregnancy

Target: Progesterone receptor and estrogen receptor alpha (KEGG)

Active compound: Clofibrate

Indications: Hyperlipidemia

Target: Peroxisome proliferator-activated receptor alpha (KEGG)

Active compound: FTC

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Bromo-isophosphoramide

Indications: Solid tumors

Target: DNA

Active compound: Penciclovir

Indications: Herpesvirus infections; varicella zoster virus (VZV)

Target: DNA polymerase catalytic subunit

Active compound: Faropenem

Indications: Bacterial infection (staphilococcus)

Target: Peptidoglycan synthase FtsI

Active compound: Favipiravir riboside triphosphate

Indications: Influenza

Target: viral RNA polymerase

Active compound: 2-Fluoroadenine

Indications: Tumors

Target: Purine nucleoside phosphorylase DeoD-type

Active compound: Fenofibric acid

Indications: Primary hypercholesterolemia or mixed dyslipidemia; Hypertriglyceridemia (KEGG)

Target: Peroxisome proliferator-activated receptor alpha

Active compound: 5-hydroxymethyltolterodine

Indications: Urinary incontinence

Target: M2 and M3 muscarinic receptors

Active compound: Fingolimod-phosphate

Indications: Multiple sclerosis

Target: Sphingosine 1-phosphate (S1P) receptor

Active compound: 5-Fluorouridine 5'-triphosphate

Indications: Candida or Cryptococcus neoformans fungal infections

Target: DNA

Active compound: Fludarabine triphosphate

Indications: B-cell chronic lymphocytic leukemia

Target: Ribonucleoside-diphosphate reductase subunit M1; DNA polymerase; cytosolic 5′-nucleotidase II

Active compound: 11β-MNT

Indications: Birth control pill for men

Target: Androgen receptor; Progesterone receptor (Ref 1)

Active compound: KNI-279

Indications: HIV infection

Target: HIV Protease

Active compound: Fluphenazine

Indications: Psychoses; Schizophrenia

Target: Dopamine receptor D2

Active compound: Fluphenazine

Indications: Psychoses; Schizophrenia

Target: Dopamine receptor D2

Active compound: Flurbiprofen

Indications: pain in cancer disease

Target: Prostaglandin-endoperoxide synthase 1 and prostaglandin-endoperoxide synthase 2 (KEGG)

Active compound: Hydroxyflutamide

Indications: Prostate cancer

Target: Androgen receptor

Active compound: Puromycin

Indications: Cancer

Target: 60S ribosomal protein

Active compound: Amprenavir

Indications: HIV infections

Target: HIV Protease

Active compound: Aprepitant

Indications: Antiemetic; Vomiting and nausea

Target: Neurokinin 1 (NK1) receptor

Active compound: Combretastatin A4

Indications: Thyroid cancer

Target: Tubulin

Active compound: Ciclopirox

Indications: Advanced solid tumors

Target: na

Active compound: Fluconazole

Indications: 1) Vaginal yeast infections caused by Candida 2) Systemic Candida infections 3) Both esophageal and oropharyngeal candidiasis 4) Cryptococcal meningitis 5) UTI (urinary tract infection) by Candida 6) Peritonitis (inflammation of the peritoneum) caused by Candida

Target: Sterol 14alpha-demethylase (KEGG)

Active compound: KNI-225

Indications: HIV infection

Target: HIV Protease

Active compound: Fosinoprilat

Indications: Hypertension and congestive heart failure

Target: Angiotensin-converting-enzyme

Active compound: Netupitant

Indications: Acute and delayed nausea and vomiting associated with moderately emetogenic cancer chemotherapy; acute and delayed nausea and vomiting associated with highly emetogenic cisplatin-based cancer chemotherapy

Target: Neurokinin-1 (NK-1) receptors

Active compound: Phenytoin

Indications: Epilepsy

Target: Sodium channel protein type 5 subunit alpha

Active compound: Propofol

Indications: General anesthesia

Target: GABAA receptor

Active compound: R406

Indications: Rheumatoid Arthritis and Immune Thrombocytopenic Purpura (ITP)

Target: Spleen tyrosine kinase; adenosine a3 receptor; adenosine and monoamine uptake transporters; udp glucuronosyltransferase ugt1a1; phosphodiesterase pde5; fatty acid amide hydrolase; 5-lipoxygenase, cathepsin l; and cathepsin s

Active compound: Temsavir

Indications: HIV-1

Target: gp120 molecule on Virus surface (Ref 1)

Active compound: ELQ-300

Indications: Malaria

Target: Plasmodium falciparum cytochrome bc1 complex

Active compound: FTI 276

Indications: Multiple myeloma

Target: Farnesyl transferase

Active compound: Thiamine

Indications: Vitamine B1 deficiency

Target: na

Active compound: Gabapentin

Indications: Adult Restless Legs Syndrome; postherpetic neuralgia

Target: Voltage-dependent calcium channel subunit alpha-2/delta-1; Voltage-dependent calcium channel subunit alpha-2/delta-2

Active compound: 3'-Fluoro-3'-deoxythymidine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: DTXSID10952728

Indications: Malignant melanoma

Target: Thymidylate synthase and DNA synthesis

Active compound: Ganciclovir Triphosphate

Indications: Herpes Simplex Virus infection

Target: DNA polymerase catalytic subunit; viral DNA polymerases; Thymidine kinase

Active compound: Gemcitabin triphosphat (Metabolite 2)

Indications: Ovarian cancer; Metastatic (Stage IV) non-small cell lung cancer; metastatic (Stage IV) adenocarcinoma of the pancreas

Target: DNA

Active compound: Gemcitabine diphosphate (Metabolite 1)

Indications: Ovarian cancer; Breast Cancer

Target: Ribonucleotide reductase

Active compound: Desalkylgidazepam

Indications: Giddiness

Target: Benzodiazepine receptors in the CNS

Active compound: Phenylacetate

Indications: Urea cycle disorders (UCDs)

Target: Glutamine

Active compound: Nitric oxide (NO)

Indications: Angina and Heart failure

Target: Quorum sensing-regulated virulence

Active compound: Miglustat

Indications: HIV Infections (WL1, WL2)

Target: Alpha-glucosidase 1 (WL2)

Active compound: GS-9148-DP

Indications: HIV-1

Target: Nucleoside/Nucleotide Reverse Transcriptase Inhibitors

Active compound: GW8248

Indications: HIV infection

Target: HIV-1 non-nucleoside reversetranscriptase inhibitors (NNRTIs)

Active compound: 3'-Fluoro-3'-deoxythymidine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Ketoprofen

Indications: Acute and chronic rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, primary dysmenorrhea and mild to moderate pain associated with musculotendinous trauma (sprains and strains), postoperative (including dental surgery) or postpartum pain

Target: Cyclooxygenase-2 (COX-2)

Active compound: Haloperidol

Indications: schizophrenia and mood disorders

Target: Dopamine receptor D2

Active compound: Morphine

Indications: Pain

Target: μ-opioid receptors

Active compound: Ampicillin

Indications: Bacterial Infections

Target: Penicillin-binding proteins (PBPs) which includes transpeptidases, carboxypeptidases, and endopeptidases

Active compound: Lopinavir

Indications: HIV,Retroviral infections

Target: Human immunodeficiency virus type 1 protease

Active compound: Doxorubicin

Indications: Necrotic tumors

Target: Beta-glucuronidase-positive cells

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Echinocandin B

Indications: Pneumocystis carinii pneumonia

Target: na

Active compound: Muscimol

Indications: Na

Target: GABAA and GABAC

Active compound: 3'-Fluoro-3'-deoxythymidine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Ibuprofen

Indications: Pain and inflammation; atopic dermatitis

Target: Prostaglandin-endoperoxide synthase 1 and prostaglandin-endoperoxide synthase 2 (KEGG)

Active compound: 4-hydroxyifosfamide

Indications: Cancer

Target: DNA

Active compound: Imidaprilat

Indications: Hypertension

Target: Angiotensin-converting-enzyme

Active compound: Desipramine

Indications: Depression

Target: Noradrenaline transporter (NET) reuptake inhibitor

Active compound: Indomethacin

Indications: Acute Gouty Arthritis, Ankylosing Spondylitis (AS), Bursitis, Osteoarthritis (OA), Pain (Acute), Patent Ductus Arteriosus (PDA), Rheumatoid Arthritis, Tendinitis (DrugBank)

Target: Prostaglandin-endoperoxide synthase 1 and prostaglandin-endoperoxide synthase 2 (KEGG)

Active compound: 7-ethyl-10-hydroxycamptothecin

Indications: Colon cancer

Target: Topoisomerase I

Active compound: Isavuconazole

Indications: Invasive aspergillosis and Invasive mucormycosis

Target: lanosterol 14-alpha-demethylase (Ref 1); cytochrome P450 3A4 (CYP3A4/5) (Ref 2)

Active compound: Isonicotinic Acyl redical

Indications: Tuberculosis (TB)

Target: Enoyl-acyl carrier protein reductase (inha); Catalase-peroxidase

Active compound: Stavudine

Indications: Tuberculosis

Target: Reverse transcriptase/RnaseH

Active compound: Aspirin

Indications: Pain, fever, and inflammation; To inhibit platelet aggregation; myocardial infarction (MI); transient ischemic attacks (TIA); For the prevention of thromboembolism; coronary artery disease (CAD)

Target: Prostaglandin G/H synthase 1; Prostaglandin G/H synthase 2

Active compound: 3'-Fluoro-3'-deoxythymidine

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Aspirin

Indications: Pain, fever, and inflammation; To inhibit platelet aggregation; myocardial infarction (MI); transient ischemic attacks (TIA); For the prevention of thromboembolism; coronary artery disease (CAD)

Target: Prostaglandin G/H synthase 1; Prostaglandin G/H synthase 2

Active compound: Distamycin

Indications: Na

Target: DNA topoisomerase 1; Estrogen receptor; GTPase Hras (WL1)

Active compound: Ixazomib

Indications: Multiple Myeloma (MM)

Target: 20S proteasome

Active compound: Ro 61-8048

Indications: Alzheimer

Target: Kynurenine 3-monooxygenase

Active compound: Josamycin

Indications: Superficial skin infections, deep-seated skin infections, lymphangitis/lymphadenitis, chronic pyoderma, secondary infection of trauma injury, thermal burn, and surgical wound, etc.

Target: 50S ribosomal protein L4

Active compound: Ketoprofen

Indications: Acute and chronic rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, primary dysmenorrhea and mild to moderate pain associated with musculotendinous trauma (sprains and strains), postoperative (including dental surgery) or postpartum pain

Target: Cyclooxygenase-2 (COX-2)

Active compound: KP-1212

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Leurubicin

Indications: Prostate cancer

Target: na

Active compound: Doxorubicin

Indications: Prostate cancer

Target: na

Active compound: 3'-fluoro-2', 3'-dideoxyguanosine

Indications: HBV, HIV (WL1)

Target: Nucleoside reverse transcriptase (WL1)

Active compound: KNI-227

Indications: HIV infection

Target: HIV Protease

Active compound: Laninamivir

Indications: Asthma; H1N1 flu

Target: Influenza A/B virus neuraminidase

Active compound: Sulfenamide form of Lansoprazole

Indications: Erosive reflux oesophagitis, active gastric ulcer, active duodenal ulcer, tuberculosis

Target: (H+,K+)-ATPase

Active compound: Latanoprost acid

Indications: Open-angle glaucoma or ocular hypertension; intraocular pressure as a result of angle-closure glaucoma

Target: Prostaglandin F2-alpha receptor

Active compound: Latanoprost acid

Indications: Glaucoma

Target: Prostaglandin F2-alpha receptor

Active compound: Teriflunomide

Indications: Rheumatoid arthritis (RA) and psoriatic arthritis

Target: Dihydroorotate dehydrogenase (quinone), mitochondrial

Active compound: Fradafiban

Indications: Angina

Target: Human platelet GP IIb/IIIa complex

Active compound: Ampicillin

Indications: Bacterial infections

Target: Enzyme transpeptidase

Active compound: Levo-alpha-acetyl-N-normethadol

Indications: Opioid dependence

Target: μ-opioid receptors

Active compound: Dopamine

Indications: Parkinson's disease and dopamine-responsive dystonia

Target: Dopamine receptor D1, D2, D3, D4, D5 (WL 3)

Active compound: Levorphanol

Indications: Na

Target: Glutamate [NMDA] receptor subunit 3A/3B (Super target)

Active compound: 2-Amino-6-methoxypurine analogue

Indications: Cytomegalo Virus Infection

Target: DNA

Active compound: Levonorgestrel

Indications: Injectable contraceptive

Target: 3-oxo-5-alpha-steroid 4-dehydrogenase 1; Progesterone receptor; Estrogen receptor alpha

Active compound: D-amphetamine

Indications: Attention Deficit Disorder With Hyperactivity (ADHD); Binge Eating Disorder (BED)

Target: Trace amine-associated receptor 1 (Drug Bank); Alpha-1B adrenergic receptor (Therapeutic Target Database)

Active compound: Loperamide

Indications: Diarrhea

Target: μ-opioid receptors

Active compound: Desloratadine

Indications: Seasonal allergic symptoms (R1)

Target: H1 histamine receptor

Active compound: Lovastatin acid

Indications: Hypercholesterolemia

Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase)

Active compound: Loxoprofen trans-OH metabolite

Indications: Musculoskeletal and joint disorders

Target: Prostaglandin G/H synthase 2; Prostaglandin G/H synthase 1

Active compound: LY404039

Indications: Psychosis and schizophrenia

Target: Metabotropic glutamate receptor 2; Metabotropic glutamate receptor 3

Active compound: Norethisterone

Indications: Menorrhagia; Metrorrhagia; Myomas; Chronic hip pains; Dysmenorrhea (R1); 2) Hepatic Disease; Vaginal Bleeding; Myocardial Infarction; Vascular Disease; Deep vein thrombosis (R 2)

Target: Progesterone receptor

Active compound: Ara-CMP

Indications: Myelodysplastic Syndrome; Leukemia; Hepatocellular carcinoma (HCC); liver cancer

Target: AraC triphosphate (araCTP) inhibition of DNA polymerase (By competing with cytidine)

Active compound: MB07344

Indications: Hyperlipidemia

Target: Thyroid hormone receptor beta

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Methasterone

Indications: Na

Target: na

Active compound: Levodopa

Indications: Parkinson’s disease (R2, R3)

Target: Dopamine receptors

Active compound: Semiquinone radical

Indications: iver, colon, lung, stomach, and prostateand leukemia

Target: DNA

Active compound: 6-Methylpurine

Indications: Tumors

Target: Purine nucleoside phosphorylase DeoD-type

Active compound: Epitiostanol

Indications: Breast cancer

Target: Estrogen receptor alpha; Estrogen receptor beta

Active compound: PSI-6130-TP (Metabolite 1)

Indications: Hepatitis C

Target: NS5B HCV RNA-dependent RNA polymerase

Active compound: Uridine-triphosphate (Metabolite 2)

Indications: Hepatitis C

Target: NS5B HCV RNA-dependent RNA polymerase

Active compound: Amphetamine

Indications: Parkinson’s disease (WL1)

Target: na

Active compound: Diethylstilbestrol

Indications: Menopause

Target: Estrogen receptor

Active compound: Ethinyl estradiol

Indications: Oral contraceptives

Target: Estrogen receptor alpha (WL1, WL2); estrogen receptor beta (WL2)

Active compound: PMPA

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Metenolone

Indications: Anemia (WL1)

Target: Androgen receptor (WL2)

Active compound: Methandriol

Indications: Na

Target: na

Active compound: Methandriol

Indications: Na

Target: na

Active compound: Methandriol

Indications: Na

Target: Androgen receptor (WL1)

Active compound: Methandriol

Indications: Na

Target: na

Active compound: Protoporphyrin IX

Indications: Actinic keratosis (R1)

Target: High affinity immunoglobulin gamma Fc receptor I (WL2)

Active compound: 2,2-dichlorovinyl Dimethyl Phosphate (DDVP)

Indications: Schistosomiasis; Alzheimer’s disease

Target: Acetylcholinesterase (AChE)

Active compound: Hydroxy acid form of Mevastatin

Indications: Bacterial Infections

Target: HMG-CoA reductase

Active compound: Desglymidodrine (DMAE)

Indications: Dysautonomia and orthostatic hypotension

Target: Alpha-adrenergic receptors

Active compound: Triptolide

Indications: Pancreatic cancer; Neuroblastoma; Breast cancer; Prostate cancer

Target: ATPase

Active compound: 125IQ2-OH

Indications: Cancer

Target: na

Active compound: Gamma-hydroxybutyrate

Indications: Anesthetic, to treat conditions such as insomnia, clinical depression, narcolepsy, and alcoholism, and to improve athletic performance.

Target: Cell specific

Active compound: Minoxidil sulphate

Indications: Androgenetic alopecia (AGA)

Target: ATP-sensitive inward rectifier potassium channel 1

Active compound: Miproxifene

Indications: Breast cancer (Ref 1)

Target: Estrogen receptor (ER) (R1)

Active compound: Thapsigargin

Indications: Tumor and Cancer

Target: Prostate-specificmembrane antigen (PSMA)

Active compound: Quinone Methide

Indications: Breast, stomach, esophagus, bladder and non-small cell lung cancer

Target: DNA minor grove

Active compound: Ixazomib

Indications: Multiple myeloma (MM)

Target: Chymotrypsin-like proteolytic (β5) site of the 20S proteasome

Active compound: Moexiprilat

Indications: Hypertension and congestive heart failure

Target: Angiotensin-converting-enzyme

Active compound: Linsidomine

Indications: Ischemic heart disease, angina, chronic heart failure, and pulmonary hypertension

Target: Hyperpolarizes cell membrane

Active compound: Deacetylthymoxamine

Indications: Erectile dysfunction

Target: α1-adrenergic antagonist

Active compound: Mycophenolic Acid (MPA)

Indications: Used as immunosuppressant in solid-organ transplantation; Autoimmune hepatitis

Target: Inosine monophosphate dehydrogenase (impdh)

Active compound: 6-methoxy-2-naphthylacetic Acid

Indications: Rheumatoid arthritis; Osteoarthritis

Target: Prostaglandin G/H synthase 2

Active compound: Dapsone

Indications: Ear infection; Leprosy

Target: Dihydropteroate synthetase

Active compound: Nandrolone

Indications: Refractory deficient red cell production anemias; Breast carcinoma; Hereditary angioedema; Antithrombin III deficiency; Fibrinogen excess; growth failure and Turner's syndrome (WL1)

Target: Androgen receptor (WL1)

Active compound: Nandrolone

Indications: Breast cancer; Osteoporosis (WL1)

Target: Androgen receptor (WL1)

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: 9-ß-D-arabinofuranosylguanine

Indications: T-cell acute lymphoblastic leukemia (ALL) and lymphoma (LBL)

Target: DNA

Active compound: Amfenac

Indications: Pain and inflammation

Target: Cyclooxygenase-1 (COX-1) and Cyclooxygenase-2 (COX-2)

Active compound: Morphine

Indications: Na

Target: mu-type opioid receptor

Active compound: N-methylnicotinamide

Indications: Anticoagulant; Peeling red skin; Niacin deficiency; Acne

Target: Platelet p2y12 receptor

Active compound: Ethinylestriol

Indications: Post-menopausal Osteoporosis

Target: Androgen receptor

Active compound: Norethisterone

Indications: Amenorrhea, functional uterine bleeding, endometriosis, and for contraception (Ref 1)

Target: Progesterone receptor (Ref 2)

Active compound: Stavudine

Indications: Tuberculosis

Target: Reverse transcriptase/RnaseH

Active compound: L-glutamine

Indications: Sickle cell disease

Target: Cell specific

Active compound: Levonorgestrel-17- acetate

Indications: Contraception

Target: progesterone receptor

Active compound: Levonorgestrel

Indications: Contraception

Target: progesterone receptor

Active compound: Rapamycin

Indications: Diabetes mellitus, asthma and rheumatic disorders

Target: na

Active compound: Rapamycin

Indications: Na

Target: na

Active compound: Rapamycin

Indications: Na

Target: na

Active compound: Combretastatin

Indications: cancer

Target: Tubulin

Active compound: STAVUDINE

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: STAVUDINE

Indications: HIV infection

Target: Reverse Transcriptase

Active compound: Psilocin

Indications: na

Target: na

Active compound: Olmesartan

Indications: Hypertension

Target: Type 1 angioten-sin II receptors (AT1-R)

Active compound: Indometacin

Indications: Osteoarthritis, rheumatoid arthritis, lower back pain, and relieving post-operative pain

Target: Cyclooxygenase (COX)

Active compound: Olmesartan

Indications: Cardiovascular disease, Heart failure, and Renal disease; Hypertension and Type 2 Diabetes-associated nephropathy

Target: Angiotensin II type 1 receptor

Active compound: 5-aminosalicylic Acid

Indications: Inflammatory Bowel Disease and Ulcerative Colitis

Target: Prostaglandin G/H synthase

Active compound: Sulfenamide form of Omeprazole

Indications: Peptic ulcers, zollinger–ellison syndrome, erosive reflux oesophagitis; gastric ulcers

Target: (H+,K+)-ATPase

Active compound: Omidenepag

Indications: Glaucoma and ocular hypertension

Target: Prostaglandin E2 receptor 2

Active compound: Oseltamivir carboxylate

Indications: Influenza A and Influenza B

Target: Neuraminidase

Active compound: Oxabolone

Indications: Severe wasting disorders (R1); muscle strength and simultaneously enhancing athletic performance

Target: Androgen receptor (WL1)

Active compound: Licarbazepine

Indications: Partial seizures in children and adults with epilepsy; Diabetic Peripheral Neuropathic Pain (DPN)

Target: Sodium channel protein type 5 subunit alpha

Active compound: Oxymorphone

Indications: Moderate to moderately severe acute or chronic pain.

Target: κ-opioid receptors

Active compound: Progesterone

Indications: Traumatic brain injury (TBI)

Target: na

Active compound: Paclitaxel

Indications: Breast cancer, colorectal cancer, gastric cancer, kidney cancer, lung cancer, pancreatic cancer, prostate cancer, and skin cancer

Target: Tubulin; Apoptosis regulator Bcl-2 (B-cell Leukemia 2)

Active compound: L-cysteine

Indications: HIV infection

Target: Glutathione synthetase; Cystine/glutamate transporter

Active compound: Furamidine

Indications: Pneumocystis pneumonia

Target: na

Active compound: Paliperidone

Indications: Schizophrenia 

Target: Dopamine Type 2 (D2) receptor antagonist and a serotonin Type 2 (5HT2A) receptor antagonist

Active compound: Sulfenamide form of Pantoprazole

Indications: Erosive esophagitis associated with gastroesophageal reflux disease (gerd)

Target: (H+,K+)-ATPase

Active compound: N-arachidonoylphenolamine

Indications: Pain and fever.

Target: Cyclooxygenase (COX), TRPA1-receptors

Active compound: Valdecoxib

Indications: Antiinflammatory; To reduce post-operative pain

Target: Cyclooxygenase-2 (COX-2)

Active compound: NSC718813

Indications: Solid tumors

Target: DNA minor groove

Active compound: Levofloxacin

Indications: Acute bacterial sinusitis, pneumonia, urinary tract infections, chronic prostatitis, traveler's diarrhea, tuberculosis, and plague and some types of gastroenteritis

Target: Cell specific

Active compound: Levofloxacin

Indications: Urinary tract infection and Pneumonia

Target: Cell specific

Active compound: Benzylpenicillin

Indications: Na

Target: na

Active compound: Doxorubicin

Indications: Tumor

Target: na

Active compound: Sulfisoxazole

Indications: Urinary tract infections

Target: Dihydropteroate synthase

Active compound: Perindoprilat

Indications: Hypertension

Target: Angiotensin-converting-enzyme

Active compound: Phenmetrazine

Indications: Stimulant drug, Antisuppressant

Target: Human dopamine transporter

Active compound: Sulfathiazole

Indications: Na

Target: Dihydropteroate synthase

Active compound: GABA

Indications: Migraine, neuro infections, senile psychosis, certain types of glaucoma, and even acute alcohol intoxication

Target: GABA-A and GABA-B

Active compound: Stavudine

Indications: HIV/AIDS

Target: Reverse transcriptase/RnaseH

Active compound: Ampicillin

Indications: Respiratory tract infections; Ear, nose and throat infections; Gynecological infections; Urinary tract infections

Target: Enzyme transpeptidase

Active compound: Mecillinam

Indications: Urinary tract infections, salmonellosis and typhoid fever (WL1)

Target: Penicillin-binding protein 1A

Active compound: Estradiol

Indications: Prostatic cancer

Target: Estrogen receptor alpha

Active compound: PR-104M

Indications: Solid tumors, Lung cancer, And leukemia

Target: DNA

Active compound: PR-104M

Indications: Solid tumors, Lung cancer, And leukemia

Target: DNA

Active compound: Aciclovir triphosphate

Indications: HSV viral infection

Target: DNA polymerase

Active compound: Adefovir

Indications: Hepatitis B

Target: Adevofir diphosphate inhibition of RNA-dependent DNA polymerase (By competing with natural dATPs)

Active compound: R-138727

Indications: Acute Coronary Syndrome (ACS); unstable angina (UA); non-ST elevation myocardial infarction (NSTEMI); ST-elevation myocardial infarction (STEMI)

Target: ADP receptor

Active compound: Prednisolone

Indications: Allergic and inflammatory conditions

Target: Glucocorticoid receptor

Active compound: Prednisolone

Indications: Allergic and inflammatory conditions

Target: Glucocorticoid receptor

Active compound: Prednisolone

Indications: Drug-induced allergic reactions, perennial or seasonal allergic rhinitis, serum sickness, giant cell arteritis acute rheumatic or nonrheumatic carditis, systemic dermatomyositis, systemic lupus erythematosus, atopic dermatitis, contact dermatitis, exfoliative dermatitis, bullous dermatitis herpetiformis, severe seborrheic dermatitis, severe (Stevens-Johnson syndrome) erythema multiforme, mycosis fungoides, pemphigus, severe psoriasis, acute adrenocortical insufficiency, Addison's disease, secondary adrenocortical insufficiency, congenital adrenal hyperplasia, hypercalcemia associated with neoplasms, nonsuppurative thyroiditis, ulceratice colitis

Target: Glucocorticoid receptor

Active compound: Pregnenolone sulfate

Indications: Allergic, pruritic, and inflammatory dermatitis

Target: na

Active compound: Pregnenolone

Indications: Rheumatoid arthritis; Nocardiosis

Target: na

Active compound: (S)-des nitro PA-824

Indications: Multidrug-resistant (MDR), extensively drug-resistant (XDR), and treatment-intolerant forms of pulmonary tuberculosis (TB)

Target: Mycolic acid biosynthesis

Active compound: Xenocoumacin 1

Indications: Bacterial Infections

Target: na

Active compound: Xenocoumacin 1

Indications: Bacterial Infections

Target: na

Active compound: Isoniazide

Indications: Tuberculosis

Target: Cell specific

Active compound: Xenocoumacin 1

Indications: Bacterial Infections

Target: na

Active compound: Xenocoumacin 1

Indications: Bacterial Infections

Target: na

Active compound: Xenocoumacin 1

Indications: Bacterial Infections

Target: na

Active compound: phenylethylmalonamide (PEMA)

Indications: Partial and generalized seizures

Target: Gamma-aminobutyric acid receptors

Active compound: Phenobarbital

Indications: Partial and generalized seizures

Target: Gamma-aminobutyric acid receptors

Active compound: Azoprocarbazine

Indications: Brain tumors and Hodgkin's lymphoma

Target: DNA (alkylating agent)

Active compound: SL-75102

Indications: Epilepsy

Target: GABAA, GABAB, and GABAA-ρ receptors

Active compound: Cycloguanil

Indications: Malaria (Plasmodium falciparum and Plasmodium vivax)

Target: Dihydrofolate reductase

Active compound: INDY

Indications: Down syndrome

Target: Dual-specificity tyrosine-(y)-phosphorylation-regulated kinase 1a

Active compound: Mitomycin C

Indications: Liver, Lung and kidney Cancer

Target: DNA

Active compound: Adefovir

Indications: Hepatitis b virus

Target: Reverse transcriptase

Active compound: Sulfanilamide

Indications: Erysipelas (R1)

Target: Dihydropteroate synthase

Active compound: Paracetamol

Indications: Pain and fever

Target: Prostaglandin G/H synthase 1; Cannabinoid receptor 1; Prostaglandin G/H synthase 2

Active compound: Ulifloxacin

Indications: Chronic bronchitis, uncomplicated and complicated urinary tract infections, and chronic bacterial prostatitis

Target: Bacterial dna gyrase

Active compound: Psilocin

Indications: Psychological disorder

Target: 5-HT2A, 5-HT2C and 5-HT1A

Active compound: Pyrazinoic acid

Indications: Tuberculosis

Target: Fatty acid synthase fas i

Active compound: Stavudine

Indications: Tuberculosis

Target: Reverse transcriptase/RnaseH

Active compound: pyridoxal 5-phosphate

Indications: For the treatment of vitamin B6 deficiency and for the prophylaxis of Isoniazid-induced peripheral neuropathy

Target: Pyridoxal kinase

Active compound: DOPAC

Indications: Lung, ovary and breast cancer

Target: Tyrosine kinases

Active compound: 3-Hydroxyphenylacetic acid

Indications: Lung, ovary and breast cancer

Target: Tyrosine kinases

Active compound: Quinaprilat

Indications: Hypertension and congestive heart failure

Target: Angiotensin-converting-enzyme

Active compound: Adenosine Monophosphate

Indications: Paroxysmal supraventricular tachycardia (PVST); Narrow-complex supraventricular tachycardias (SVT)

Target: Adenosine receptor

Active compound: Norethisterone

Indications: Endometriosis-related pain; Postmenopausal osteoporosis and moderate-to-severe vasomotor symptoms arising from menopause

Target: Progesterone receptor

Active compound: Norethisterone

Indications: Oral contraceptives

Target: Progesterone receptor

Active compound: 7,8-dihydroxyflavone

Indications: Cervical cancer; Alzheimer's disease

Target: Tropomyosin receptor kinase B (TrkB) (WL1)

Active compound: R333

Indications: Autoimmune diseases

Target: Janus Kinase 3

Active compound: 7,8-dihydroxyflavone

Indications: Cervical cancer; Alzheimer's disease

Target: Tropomyosin receptor kinase B (TrkB) (WL1)

Active compound: Sulfenamide form of Rabeprazole

Indications: Erosive esophagitis associated with gastroesophageal reflux disease (gerd)

Target: na

Active compound: Thiorphan

Indications: Acute diarrhea

Target: Neutral endopeptidase/ Enkephalinase

Active compound: Ramiprilat

Indications: Hypertension and congestive heart failure

Target: Angiotensin-converting-enzyme

Active compound: EC33

Indications: Blood Pressure

Target: Aminopeptidase A (APA)

Active compound: Remdesivir triphosphate

Indications: SARS-CoV-2-infection

Target: Viral RNA polymerases

Active compound: 1-testosterone

Indications: Stimulates the growth of the prostate as well as the seminal vesicles; Enhance athletic performance

Target: na

Active compound: Modafinil

Indications: Wakefulness for excessive daytime sleepiness (EDS) 

Target: α1-adrenergic receptor

Active compound: Remogliflozin A

Indications: Diabetes type 1 & 2

Target: Sodium-dependent glucose co-transporter-2 (SGLT2)

Active compound: Unoprostone

Indications: Occular Hypertension

Target: na

Active compound: Resolvin free acid

Indications: Cronic Inflamation

Target: FPR2 and GPR32 types of G-Protein-coupled receptors

Active compound: AZT triphosphate

Indications: HIV-1

Target: HIV-reverse transcriptase and cellular DNA polymerases

Active compound: Ribavirin triphosphate

Indications: Chronic Hepatitis C Virus (HCV) Infection; Severe Respiratory Syncytial Virus Infection

Target: Viral mRNA polymerase; Inosine-5'-monophosphate dehydrogenase 1

Active compound: M-4

Indications: Insomnia

Target: GABA receptors

Active compound: Paliperidone

Indications: Schizophrenia and related disorders

Target: P-glycoprotein-mediated transport; 5-hydroxytryptamine (5-HT)2A, dopamine D2 and α1- and α2-adrenergic receptors

Active compound: Ro 44-3888

Indications: Acute coronary syndrome

Target: Fibrinogen receptor; GP IIb-IIIa receptor

Active compound: Paclitaxel

Indications: Breast and ovarian cancers

Target: Tubulin beta-1 chain; Apoptosis regulator Bcl-2; Microtubule-associated protein 4; Microtubule-associated protein 2; Microtubule-associated protein tau

Active compound: Thiol derivative of Romidepsin

Indications: Cutaneous T-cell lymphoma (R1)

Target: Histone deacetylases (Ref 1)

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Idoxuridine

Indications: Radiosensitizer

Target: Thymidylate synthase

Active compound: Sacubitrilat

Indications: Reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV) and reduced ejection fraction

Target: Neprilysin (WL1)

Active compound: Amoxicillin

Indications: Na

Target: na

Active compound: SB 201076

Indications: Hypolipidaemia

Target: ATP citrate (pro-S)-lyase

Active compound: SN-38

Indications: Cancer

Target: DNA topoisomerase I inhibitor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Captopril

Indications: Hypertension and congestive heart failure

Target: Angiotensin-converting-enzyme inhibitor

Active compound: Afimoxifene

Indications: Breast cancer

Target: Estrogen receptor

Active compound: Testosterone

Indications: Osteoporosis, maintain normal muscle and bonemass, erythropoiesis, and sexual function

Target: na

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: ELQ-300

Indications: Malaria

Target: Plasmodium falciparum cytochrome bc1 complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Levonadifloxacin

Indications: Acute bacterial skin and skin structure infections (ABSSSI)

Target: DNA gyrase

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: GABA-benzodiazepine receptor (GABA-BZR) complex

Active compound: Eniluracil

Indications: liver, lung, adrenal, testis, and prostate cancers

Target: Mechanism-based inhibitor of dihy-dropyrimidine dehydrogenase (DPD)

Active compound: Eglumetad

Indications: Psychosis, anxiety, anddrug withdrawal

Target: Group II metabotropic glutamate (mGlu) receptors

Active compound: Tegafur

Indications: Breast cancer; Lung cancer and Colon cancer

Target: Thymidylate synthase

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: 6-Mercaptopurine

Indications: Colon and breast carcinoma

Target: DNA

Active compound: TAK-456

Indications: Aspergillosis

Target: na

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: L014097

Indications: Depression

Target: Non-peptide NK1 neurokinin receptor

Active compound: SCHEMBL6664903

Indications: Hepatitis B virus

Target: Inhibiting viral DNA priming and viral DNA packaging

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: Secnidazole active nitro radical

Indications: Bacterial vaginosis in adult women

Target: Bacterial DNA synthesis

Active compound: MRE-269

Indications: Pulmonary arterial hypertension (PAH); Antithrombotic agents

Target: Prostacyclin Receptor

Active compound: Sergliflozin

Indications: Type 2 diabetes mellitus (R1)

Target: Sodium-dependent glucose cotransporter 2 (sglt2) (r1)

Active compound: LY294002/SF1101

Indications: Metastatic Solid Tumors / Cancers / Solid Cancers

Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform

Active compound: LY294002/SF1101

Indications: Metastatic Solid Tumors / Cancers / Solid Cancers

Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform

Active compound: Ro 44-3888

Indications: Acute coronary syndrome

Target: Fibrinogen receptor; GP IIb-IIIa receptor

Active compound: Metabolite 1 (Desmethylsibutramine)

Indications: Obesity (R4)

Target: Sodium-dependent noradrenaline transporter; Sodium-dependent serotonin transporter; Sodium-dependent dopamine transporter

Active compound: Metabolite 2

Indications: Obesity (R4)

Target: Sodium-dependent noradrenaline transporter; Sodium-dependent serotonin transporter; Sodium-dependent dopamine transporter

Active compound: Simvastatin acid

Indications: Dyslipidemia, elevated lipid levels

Target: 3-hydroxy-3-methylglutaryl (HMG) coenzyme reductase

Active compound: Trovafloxacin

Indications: Broad spectrum antibiotic 

Target: DNA gyrase and DNA topoisomerase IV activities

Active compound: CHEMBL280898

Indications: Tumours

Target: Oxygen-insensitive NAD(P)H nitroreductase

Active compound: SNX-2112

Indications: Breast, lung, and ovarian cancer

Target: Heat shock protein HSP 90

Active compound: GS-461203

Indications: Hepatitis C

Target: NS5B polymerase

Active compound: Spiraprilat

Indications: Hypertension

Target: Angiotensin-converting-enzyme

Active compound: Spiruchostatin A (reduced)

Indications: Breast cancer

Target: Histone deacetylase (HDAC) (R1, R2)

Active compound: Stavudine

Indications: HIV

Target: Non-nucleoside reverse transcriptase

Active compound: Dihydrotestosterone

Indications: Na

Target: Androgen receptor

Active compound: Sulfathiazole

Indications: Na

Target: Dihydropteroate synthase

Active compound: 5-aminosalicylic Acid

Indications: Rheumatoid arthritis

Target: Prostaglandin G/H synthase

Active compound: Sulfapyridine

Indications: Rheumatoid arthritis

Target: Prostaglandin G/H synthase

Active compound: Doxorubicin

Indications: Solid tumors

Target: DNA topoisomerase 2-alpha

Active compound: Sulindac Sulfide

Indications: Osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, acute painful shoulder and acute gouty arthritis

Target: Prostaglandin G/H synthase 2

Active compound: Ampicillin

Indications: Pneumonia and Chronic Obstructive Pulmonary Disease (COPD)

Target: Enzyme transpeptidase

Active compound: Rapamycin

Indications: Transplant (Rejection); Autoimmune and oncological diseases

Target: mTOR

Active compound: Tafluprost acid

Indications: Open-angle glaucoma

Target: Prostaglandin f receptor

Active compound: Parthenolide

Indications: Cancer

Target: STAT mediated gene transcription and NF-kB mediated gene transcription

Active compound: Parthenolide

Indications: Cancer

Target: STAT mediated gene transcription and NF-kB mediated gene transcription

Active compound: Niflumic acid

Indications: Rheumatoid arthritis and osteoarthritis 

Target: Chloride channel protein ClC-Ka; Prostaglandin G/H synthase 1; Prostaglandin G/H synthase 2

Active compound: Afimoxifene

Indications: Breast cancer

Target: Estrogen receptor

Active compound: Endoxifen

Indications: Breast cancer

Target: Estrogen receptor

Active compound: Ribavirin

Indications: Hepatitis C (WL1, R2)

Target: RNA-directed RNA polymerase catalytic subunit; Cytosolic purine 5'-nucleotidase; Inosine-5'-monophosphate dehydrogenase 1 (WL1)

Active compound: Estramustine

Indications: Metastatic and/or progressive carcinoma of the prostate

Target: Microtubule-associated proteins and β-tubulin

Active compound: Tazarotenic Acid

Indications: Psoriasis, acne, and sun damaged skin

Target: Retinoic acid receptor (rar) family: rarα, rarβ, and rarγ

Active compound: Tebipenem

Indications: Otolaryngologic and respiratory infections in pediatric patients

Target: Penicillin-binding proteins (PBPs)

Active compound: Tedizolid

Indications: Acute bacterial skin and skin structure infections (ABSSSIs)

Target: 50S ribosomal subunit

Active compound: 5-Fluorouracil

Indications: Candida or Cryptococcus neoformans fungal infections

Target: Thymidylate Synthase (TS)

Active compound: GMX1778

Indications: Chronic lymphocytic leukemia, acute leukemia,and high-grade lymphomas

Target: Nicotinamide phosphoribosyl transferase

Active compound: Telotristat

Indications: Carcinoid syndrome

Target: Tryptophan hydroxylase (tph)

Active compound: Telotristat

Indications: Carcinoid syndrome and diarrhea (R1)

Target: Tryptophan hydroxylase [TPH1 and TPH2] (R1, R2)

Active compound: Temocaprilat

Indications: Hypertension and congestive heart failure, diabetic nephropathy (WL2)

Target: Angiotensin converting enzyme (ACE) (R1)

Active compound: 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC)

Indications: Brain cancers, astrocytoma, glioblastoma multiforme

Target: DNA (alkylating agent)

Active compound: Tenofovir

Indications: Hepatitis B; HIV-1 infection

Target: Reverse transcriptase/RNaseH; Reverse transcriptase; DNA polymerase (Drug Bank)

Active compound: Vitamin D3

Indications: Regulation of the calcium balance and the bone metabolism

Target: Vitamin D3 receptor

Active compound: Tenofovir

Indications: HIV/AIDS and hepatitis B

Target: Reverse Transcriptase

Active compound: Fexofenadine

Indications: Allergic rhinitis, hay fever, and allergic skin disorders (WL2)

Target: Histamine H1 receptor

Active compound: Lysine vasopressin

Indications: Sepsis-associated arterial hypotension

Target: Vasopressin V1a receptor

Active compound: Dihydrotestosterone

Indications: Tumor and Cancer

Target: Androgen receptor

Active compound: 5-dihydrotestosterone (DHT)

Indications: Primary hypogonadism and hypogonadotropic hypogonadism

Target: Androgen receptor

Active compound: Testosterone

Indications: Na

Target: na

Active compound: Testosterone

Indications: Na

Target: na

Active compound: Testosterone

Indications: Na

Target: na

Active compound: Testosterone

Indications: Absence or deficiency in endogenous testosterone production

Target: Androgen receptor

Active compound: Testosterone

Indications: Impotence, weakness, fatigue and hypogonadism in male breeding animals

Target: na

Active compound: Oxypurinol

Indications: Chronic gout

Target: Xanthine oxidase

Active compound: Brivudine monophosphate

Indications: Tumours

Target: Thymidylate synthase (ts)

Active compound: Brivudine

Indications: Colorectal cancer

Target: Thymidylate synthase

Active compound: Thiol Metabolite of Ticlopidine

Indications: Strokes and coronary stent occlusions

Target: P2Y purinoceptor 12; Nucleoside triphosphate diphosphohydrolase-1 (NTPDase1)

Active compound: Bisnortilidin

Indications: Pain

Target: μ-opioid receptors

Active compound: Nortilidine

Indications: Pain

Target: μ-opioid receptors

Active compound: Metronidazole

Indications: Bacterial vaginosis (BV); giardiasis and amoebiasis

Target: DNA

Active compound: Benzotriazinyl radicals

Indications: Breast and lung cancer

Target: DNA minor grove

Active compound: GABA

Indications: Epilepsy

Target: GABA receptor (WL1)

Active compound: 5-Hydroxymethyltolterodine (5-HMT)

Indications: Urinary incontinence

Target: M2 and M3 muscarinic receptors

Active compound: O-Demethyltramadol

Indications: Acute and chronic pain

Target: μ-opioid receptors

Active compound: 1-testosterone

Indications: Stimulates the growth of the prostate as well as the seminal vesicles; Enhance athletic performance

Target: na

Active compound: 17α-allyl-19-nortestosterone

Indications: Treat recurrent and threatened miscarriage and to prevent premature labor in pregnant women

Target: Progesterone, androgen and glucocorticoid receptors

Active compound: Trandolaprilat

Indications: Hypertension

Target: Angiotensin-converting-enzyme

Active compound: Travoprost free acid

Indications: Glaucoma or ocular hypertension

Target: FP prostanoid receptor

Active compound: Trenbolone

Indications: To promoting muscle growth in cattle

Target: Androgen receptor (WL1)

Active compound: Trenbolone

Indications: To promoting muscle growth in cattle

Target: Androgen receptor (ref 1)

Active compound: Trenbolone

Indications: To promoting muscle growth in cattle

Target: Androgen receptor (ref 1)

Active compound: 19-nortestosterone

Indications: To promoting muscle growth in cattle

Target: Androgen receptor; progesterone receptor (ref 1)

Active compound: 5-(aziridin-1-yl)-4-acetoxy-2-nitrobenzamide

Indications: Tumours

Target: DNA

Active compound: Trichloroethanol

Indications: Insomnia

Target: na

Active compound: TXA707

Indications: Staphylococcus aureus infection

Target: FtsZ of staphylococcus aurious

Active compound: Meprobamate

Indications: Chronic brain syndrome (R2); anxiety disorders (WL1)

Target: na

Active compound: ALS-8112

Indications: RSV infection

Target: RSV polymerase

Active compound: Uridine

Indications: For the emergency treatment of fluorouracil or capecitabine overdose or early-onset severe or life-threatening cardiac or central nervous system (CNS) toxicity and/or early-onset unusually severe adverse reactions; hereditary orotic aciduria

Target: RNA

Active compound: Acyclovir

Indications: Herpes Zoster; Suppression of genital herpes lesions in immunocompetent or HIV-infected patients; Cold Sores (Herpes Labialis); Chickenpox

Target: HSV-specified DNA polymerases

Active compound: α-dihydrotetrabenazine ([+]-α-HTBZ)

Indications: Tourette Syndrome and Tardive Dyskinesia

Target: Vesicular monoamine transporter 2 (VMAT2)

Active compound: Ganciclovir

Indications: Cytomegalovirus infections

Target: DNA polymerase, Thymidine kinase of HHV1

Active compound: Proxibarbital

Indications: Na

Target: na

Active compound: 2'-c-Methylcytidine

Indications: Hepatitis C

Target: HCV RNA polymerase

Active compound: Valproic Acid

Indications: Epilepsy; bipolar disorder

Target: na

Active compound: Valproic Acid

Indications: Epilepsy

Target: Epoxide hydrolase

Active compound: Torcitabine triphosphate

Indications: Hepatitis B

Target: HBV polymerase

Active compound: Varespladib

Indications: Acute Coronary Syndrome; Atherosclerosis; coronary artery disease

Target: Secretory phospholipase groups IIa, V and X (Ref 2); platelet-activating factor acetylhydrolase (Ref 3)

Active compound: BIIL-315 (Metabolite 2)

Indications: Asthma, chronic obstructive pulmonary disease (COPD), cystic fibrosis, and rheumatoid arthritis

Target: Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2

Active compound: VRT-043198

Indications: Inflamation, Psoriasis and psoriatic disorders

Target: ICE/caspase-1 sub-family caspases

Active compound: Melagatran

Indications: Anticoagulant, venous thromboembolism

Target: Thrombin

Active compound: camptothecin

Indications: Tumor

Target: DNA topoisomerase I

Active compound: Y-26763

Indications: Hypertension

Target: Potassium channel

Active compound: AZT triphosphate

Indications: HIV infection

Target: DNA polymerase

Active compound: Zofenoprilat

Indications: Hypertension, congestive heart failure, acute myocardial infarction, and diabetic nephropathy (R 1)

Target: Angiotensin-Converting Enzyme (ACE) (R 1, WL 3) ; peptidyl-dipeptidase A (WL 2)

Active compound: γ-hydroxybutyric acid

Indications: Na

Target: na

Active compound: γ-hydroxyvaleric acid

Indications: Na

Target: GHB receptor

Active compound: Paclitaxel

Indications: Breast, ovary and lung cancer

Target: Tubulin

Active compound: Daunorubicin (DNR)

Indications: Ovarian cancer

Target: DNA

Active compound: BIIL-260 (Metabolite 1)

Indications: Asthma, chronic obstructive pulmonary disease (COPD), cystic fibrosis, and rheumatoid arthritis

Target: Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2

Active compound: Doxorubicin (DOX)

Indications: Bladder, breast, lung, stomach, and ovarian cancer

Target: DNA

Active compound: 5-Ethynyluracil

Indications: Colorectal, breast, gastric, head and neck, ovarian and basal cell cancer of the skin

Target: Dihydropyrimidine dehydrogenase (DPD)

Active compound: Ara-CTP

Indications: Acute myeloid leukemia (AML), acute lymphocytic leukemia (ALL), chronic myelogenous leukemia (CML), and non-Hodgkin's lymphoma

Target: DNA, DNA Polymerase

Active compound: Cladribine triphosphate

Indications: Hairy cell leukemia

Target: Na

Active compound: Ara-CTP

Indications: Acute myeloid leukemia (AML)

Target: DNA, DNA Polymerase

Active compound: Phenethylamine

Indications: Scizophrenia

Target: Cell system

Active compound: Amphetamine

Indications: Fatigue, Depression, potency disorders, Narcolepsy, childhood hyperkinesis

Target: Synaptic vesicular amine transporter; Sodium-dependent dopamine transporter

Active compound: WR-1065

Indications: Cytoprotective adjuvant used in cancer

Target: na

Active compound: Piroxicam

Indications: Rheumatoid arthritis and osteoarthritis 

Target: Cyclooxygenase (COX)

Active compound: Butyric acid

Indications: Liver cancer, lung cancer, melanoma, and leukemia

Target: Histone deacetylase

Active compound: Isatoribine

Indications: Hepatitis C virus

Target: Toll-like receptor 7

Active compound: Dehydroepiandrosterone

Indications: Potential chemopreventive activity,immunologic adjuvants 

Target: na

Active compound: Dihydrotestosterone

Indications: Na

Target: Androgen receptor

Active compound: Dihydrotestosterone

Indications: Na

Target: Androgen receptor

Active compound: Dihydrotestosterone

Indications: Na

Target: Androgen receptor

Active compound: Dihydrotestosterone

Indications: Na

Target: Androgen receptor

Active compound: Aniline mustard

Indications: Colon cancer

Target: Beta-glucuronidase-positive cells

Active compound: Semi-quinone radical form of EO9

Indications: Breast and lung cancer

Target: DNA minor grove

Active compound: R-baclofen

Indications: Treatment for patients with GERD and spasticity due to multiple sclerosis

Target: Gamma-aminobutyric acid type B receptor subunit 1; Gamma-aminobutyric acid type B receptor subunit 2

Active compound: Aripiprazole

Indications: bipolar disorder

Target: Dopamine receptor

Active compound: Aripiprazole

Indications: Schizophrenia; senile dementia; transient psychosis following surgery; or Myocardial infaraction

Target: Dopamine D2 receptor; 5-hydroxytryptamine receptor 1A; 5-hydroxytryptamine receptor 2A

Active compound: Dihydroartemisinin

Indications: Malaria

Target: Heme present in the hemozoin and hemoglobin; histidine-rich protein II (PfHRP II)

Active compound: 6-Hydroxydopa

Indications: Malignant melanoma

Target: DNA, RNA, and protein synthesis

Active compound: Dihydroartemisinin

Indications: Malaria

Target: Malaria proteins EXP1

Active compound: Hydrogen peroxide

Indications: Tuberculosis

Target: DNA

Active compound: Atovaquone

Indications: Pneumocystis carinii infection

Target: Cytochrome bc1 complex (Complex III)

Active compound: Diazepam

Indications: Anxiolytic agent and muscle relaxant,premediation for anesthesia, a sedative for minor surgery or invasive procedures, and for treatment of status epileptus or severe recurrent seizures

Target: Acetylcholinesterase

Active compound: 6-Mercaptopurine

Indications: Cancer, autoimmune disorders and in organ transplant

Target: Hypoxanthine-guanine phosphoribosyltransferase

Active compound: Azilsartan

Indications: Essential hypertension

Target: Type-1 angiotensin II receptor

Active compound: Ampicillin

Indications: Bacterial infections

Target: Enzyme transpeptidase

Active compound: Baloxavir

Indications: Influenza

Target: Polymerase acidic (PA) protein found in influenza virus

Active compound: 5-aminosalicylic Acid

Indications: Ulcerative colitis

Target: Prostaglandin G/H synthase; Peroxisome proliferator-activated receptor gamma; Arachidonate 5-lipoxygenase

Active compound: Terbutaline

Indications: Asthma, COPD

Target: Beta-2 adrenergic receptor

Active compound: Dopamine

Indications: Parkinson’s disease (PD)

Target: Dopamine receptor

Active compound: AQ4

Indications: Tumor

Target: Topoisomerase II

Active compound: Barasertib-HQPA

Indications: Leukemia

Target: Aurora b kinase

Active compound: Beclomethasone 17-monopropionate

Indications: Asthma and rhinitis

Target: Nuclear receptors

Active compound: Benazeprilat

Indications: Hypertension, congestive heart failure, and heart attacks,

Target: Acetylcholinase esterase

Active compound: Hydrocodone

Indications: Acute pain

Target: mu-opioid receptor

Active compound: 2-nitroimidazole

Indications: Chagas disease

Target: Proteins, DNA/RNA

Active compound: d-Amphetamine

Indications: Attention deficit hyperactivity disorder (ADHD)

Target: Sodium-dependent dopamine transporter; Synaptic vesicular amine transporter

Active compound: Phenylephrine

Indications: Indicated to dilate pupils and induce vasoconstriction

Target: Alpha-1A adrenergic receptor; Alpha-1B adrenergic receptor; Alpha-1D adrenergic receptor

Active compound: LB80317

Indications: Hepatitis B(HBV) infection

Target: Tissue

Active compound: Despropionyl-bezitramide

Indications: Severe chronic pain

Target: na