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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: P08263
No. Gene UniProt ID Protein Name Pathway PDB
1 GSTA1 P08263 Glutathione S-transferase A1 hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05225; hsa05418


8 known interactions (drugs) of input target (GSTA1): Glutathione S-transferase A1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04132 S-Hexylglutathione Thumb
2 Experimental SmallMoleculeDrug DB03003 Glutathione Sulfonic Acid Thumb
3 Experimental SmallMoleculeDrug DB02486 2-Hydroxyethyl Disulfide Thumb
4 Experimental SmallMoleculeDrug DB03602 S-Benzyl-Glutathione Thumb
5 Investigational SmallMoleculeDrug DB13014 Hypericin Thumb
6 Experimental SmallMoleculeDrug DB02943 N-(4-Aminobutanoyl)-S-(4-Methoxybenzyl)-L-Cysteinylglycine Thumb
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00143 Glutathione Thumb
8 Experimental SmallMoleculeDrug DB01915 S-Hydroxycysteine Thumb


20 predicted interactions (drugs) of input target (GSTA1): Glutathione S-transferase A1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB04972 Canfosfamide Thumb 23.8%
2 Experimental SmallMoleculeDrug DB01834 (9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene Thumb 23.3%
3 Approved;
Investigational		 SmallMoleculeDrug DB12598 Nafamostat Thumb 23.3%
4 Approved;
Investigational		 SmallMoleculeDrug DB00903 Etacrynic acid Thumb 21.8%
5 Investigational SmallMoleculeDrug DB05460 Ezatiostat Thumb 21.7%
6 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 21.3%
7 Experimental SmallMoleculeDrug DB03330 S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione Thumb 21.2%
8 Experimental SmallMoleculeDrug DB04147 Lauryl Dimethylamine-N-Oxide Thumb 20.9%
9 Experimental SmallMoleculeDrug DB02633 Cibacron Blue Thumb 20.5%
10 Experimental SmallMoleculeDrug DB02482 Phosphonothreonine Thumb 20.4%
11 Withdrawn SmallMoleculeDrug DB04821 Nomifensine Thumb 20.3%
12 Experimental SmallMoleculeDrug DB03686 S-(P-Nitrobenzyl)Glutathione Thumb 20.2%
13 Experimental SmallMoleculeDrug DB03032 S-Octylglutathione Thumb 20.2%
14 Approved;
Investigational		 SmallMoleculeDrug DB04339 Carbocisteine Thumb 19.8%
15 Experimental SmallMoleculeDrug DB03661 Cysteinesulfonic Acid Thumb 19.6%
16 Experimental SmallMoleculeDrug DB08179 methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate Thumb 19.5%
17 Experimental SmallMoleculeDrug DB08370 S-(4-BROMOBENZYL)CYSTEINE Thumb 19.4%
18 Approved;
Experimental		 SmallMoleculeDrug DB03796 Palmitic Acid Thumb 19.1%
19 Approved SmallMoleculeDrug DB00316 Acetaminophen Thumb 18.6%
20 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01242 Clomipramine Thumb 18.6%


  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.