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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P14061
No. Gene UniProt ID Protein Name Pathway PDB
1 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913


9 known interactions (drugs) of input target (HSD17B1): Estradiol 17-beta-dehydrogenase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb
2 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB01708 Prasterone Thumb
3 Illicit;
Investigational
SmallMoleculeDrug DB02901 Stanolone Thumb
4 Experimental SmallMoleculeDrug DB02323 EM-1745 Thumb
5 Experimental;
Illicit
SmallMoleculeDrug DB01536 Androstenedione Thumb
6 Approved;
Nutraceutical
SmallMoleculeDrug DB00157 NADH Thumb
7 Experimental;
Illicit
SmallMoleculeDrug DB01561 Androstanedione Thumb
8 Experimental SmallMoleculeDrug DB13951 Stanolone acetate Thumb
9 Approved SmallMoleculeDrug DB02187 Equilin Thumb


20 predicted interactions (drugs) of input target (HSD17B1): Estradiol 17-beta-dehydrogenase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb 44.2%
2 Approved;
Investigational
SmallMoleculeDrug DB01593 Zinc Thumb 43.6%
3 Approved;
Nutraceutical;
Vet approved
SmallMoleculeDrug DB01065 Melatonin Thumb 34.0%
4 Approved;
Investigational;
Vet approved;
Withdrawn
SmallMoleculeDrug DB01108 Trilostane Thumb 30.1%
5 Approved;
Investigational
SmallMoleculeDrug DB12010 Fostamatinib Thumb 29.6%
6 Approved;
Investigational
SmallMoleculeDrug DB00786 Marimastat Thumb 29.2%
7 Approved;
Investigational
SmallMoleculeDrug DB01026 Ketoconazole Thumb 29.1%
8 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb 27.7%
9 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00312 Pentobarbital Thumb 27.7%
10 Approved;
Vet approved
SmallMoleculeDrug DB00396 Progesterone Thumb 26.8%
11 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 26.7%
12 Approved;
Withdrawn
SmallMoleculeDrug DB04824 Phenolphthalein Thumb 26.7%
13 Approved;
Vet approved
SmallMoleculeDrug DB00418 Secobarbital Thumb 25.7%
14 Experimental SmallMoleculeDrug DB02266 Flufenamic Acid Thumb 25.5%
15 Approved;
Investigational
SmallMoleculeDrug DB00624 Testosterone Thumb 25.3%
16 Approved;
Investigational
SmallMoleculeDrug DB08604 Triclosan Thumb 25.3%
17 Approved;
Withdrawn
SmallMoleculeDrug DB00431 Lindane Thumb 24.4%
18 Approved SmallMoleculeDrug DB13944 Testosterone enanthate Thumb 24.3%
19 Approved;
Investigational
SmallMoleculeDrug DB11064 Homosalate Thumb 24.3%
20 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb 24.0%



  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.