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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: P49888
No. Gene UniProt ID Protein Name Pathway PDB
1 SULT1E1 P49888 Estrogen sulfotransferase hsa00140 1G3M; 1HY3; 4JVL; 4JVM; 4JVN


4 known interactions (drugs) of input target (SULT1E1): Estrogen sulfotransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01812 Adenosine-3'-5'-Diphosphate Thumb
2 Approved SmallMoleculeDrug DB01176 Cyclizine Thumb
3 Experimental SmallMoleculeDrug DB03346 3,5,3',5'-Tetrachloro-Biphenyl-4,4'-Diol Thumb
4 Experimental SmallMoleculeDrug DB02902 3'-Phosphate-Adenosine-5'-Phosphate Sulfate Thumb


20 predicted interactions (drugs) of input target (SULT1E1): Estrogen sulfotransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Experimental		 SmallMoleculeDrug DB03017 Lauric Acid Thumb 24.3%
2 Approved;
Investigational		 SmallMoleculeDrug DB00325 Nitroprusside Thumb 22.8%
3 Experimental SmallMoleculeDrug DB08515 (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE Thumb 21.2%
4 Approved;
Investigational		 SmallMoleculeDrug DB05351 Dexlansoprazole Thumb 21.0%
5 Approved BiotechDrug DB13999 Moroctocog alfa Thumb 19.7%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 19.7%
7 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 19.6%
8 Approved;
Investigational		 BiotechDrug DB00087 Alemtuzumab Thumb 18.0%
9 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 17.6%
10 Approved SmallMoleculeDrug DB01045 Rifampicin Thumb 17.5%
11 Approved;
Investigational		 BiotechDrug DB00095 Efalizumab Thumb 16.9%
12 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00338 Omeprazole Thumb 16.6%
13 Approved;
Investigational		 BiotechDrug DB13998 Lonoctocog alfa Thumb 16.3%
14 Approved;
Investigational		 SmallMoleculeDrug DB01083 Orlistat Thumb 16.1%
15 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB01942 Formic Acid Thumb 16.1%
16 Approved SmallMoleculeDrug DB09285 Morniflumate Thumb 15.9%
17 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 15.8%
18 Approved SmallMoleculeDrug DB08439 Parecoxib Thumb 15.6%
19 Experimental SmallMoleculeDrug DB02052 Indirubin-3'-Monoxime Thumb 15.5%
20 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb 15.5%


  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.