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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: P37059
No. Gene UniProt ID Protein Name Pathway PDB
1 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA


7 known interactions (drugs) of input target (HSD17B2): Estradiol 17-beta-dehydrogenase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb
2 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
3 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb
6 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb
7 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb


20 predicted interactions (drugs) of input target (HSD17B2): Estradiol 17-beta-dehydrogenase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 44.0%
2 Investigational SmallMoleculeDrug DB01645 Genistein Thumb 39.4%
3 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb 35.2%
4 Investigational SmallMoleculeDrug DB05939 MK-0354 Thumb 34.4%
5 Approved;
Investigational		 SmallMoleculeDrug DB00564 Carbamazepine Thumb 30.7%
6 Experimental SmallMoleculeDrug DB07485 4,4'-cyclohexane-1,1-diyldiphenol Thumb 30.4%
7 Approved;
Investigational		 SmallMoleculeDrug DB00481 Raloxifene Thumb 28.7%
8 Experimental SmallMoleculeDrug DB06973 4,4'-PROPANE-2,2-DIYLDIPHENOL Thumb 28.3%
9 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb 28.0%
10 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 27.8%
11 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 26.6%
12 Approved SmallMoleculeDrug DB00674 Galantamine Thumb 25.9%
13 Experimental SmallMoleculeDrug DB06902 4-(1-methyl-1-phenylethyl)phenol Thumb 25.7%
14 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 25.7%
15 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb 24.9%
16 Experimental SmallMoleculeDrug DB08020 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Thumb 24.3%
17 Approved;
Investigational		 SmallMoleculeDrug DB04930 Permethrin Thumb 24.0%
18 Approved SmallMoleculeDrug DB01428 Oxybenzone Thumb 23.9%
19 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 23.6%
20 Experimental SmallMoleculeDrug DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate Thumb 23.3%


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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.