Research Article

Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities

Table 1

Detailed information of samples in DSte.

NameIDOriginal indicationReported indication

StatinsCID000446156Myocardial infarctionProstate cancer, leukemia
MetforminCID000004091Diabetes mellitusBreast cancer, adenocarcinoma, prostate, colorectal cancer
RapamycinCID005284616ImmunosuppressantColorectal cancer, lymphoma, leukemia
MethotrexateCID000126941Acute leukemiaOsteosarcoma, breast cancer,
Hodgkin lymphoma
Zoledronic acidCID000068740Antibone resorptionMultiple myeloma, prostate cancer, breast cancer
WortmanninCID000312145AntifungalLeukemia
ThiocolchicosideCID000072067Muscle relaxantLeukemia, multiple myeloma
NoscapineCID000275196Antitussive, antimalarial, analgesicMultiple cancer types
GalantamineCID000009651Polio, paralysis, anaesthesiaAlzheimer’s disease
RopiniroleCID000005095HypertensionParkinson’s disease, idiopathic
restless leg syndrome
TofisopamCID000005502Anxiety-related conditionsIrritable bowel syndrome
FinasterideCID000057363Benign prostatic hyperplasiaHair loss
MifepristoneCID000055245Pregnancy terminationPsychotic major depression
MinoxidilCID000004201HypertensionHair loss
PaclitaxelCID000036314CancerRestenosis
PhentolamineCID000005775HypertensionImpaired night vision
SildenafilCID000005212AnginaMale erectile dysfunction
TadalafilCID000110635Cardiovascular disease, inflammationMale erectile dysfunction
TopiramateCID005284627EpilepsyObesity
ZidovudineCID000035370CancerHIV/AIDS
AllopurinolCID000002094Tumor lysis syndromeGout
AmphotericinCID005280965Fungal infectionsLeishmaniasis
ColchicineCID000006167GoutRecurrent pericarditis
Retinoic acidCID000444795AcneAcute prophylaxis
BimatoprostCID005311027GlaucomaPromoting eyelash growth
CeftriaxoneCID005479530Bacterial infectionsAmyotrophic lateral sclerosis
ColesevelamCID000160051HyperlipidemiaType 2 diabetes mellitus
DisulfiramCID000003117AlcoholismMelanoma
NaproxenCID000156391Inflammation, painAnti-Alzheimer’s disease
MinocyclineCID054675783AcneOvarian cancer, glioma
DapoxetineCID000071353Analgesia, depressionPremature ejaculation
BromocriptineCID000031101Parkinson’s diseaseDiabetes mellitus