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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: Q04760
No. Gene UniProt ID Protein Name Pathway PDB
1 GLO1 Q04760 Lactoylglutathione lyase hsa00620 1BH5; 1FRO; 1QIN; 1QIP; 3VW9; 3W0T; 3W0U


8 known interactions (drugs) of input target (GLO1): Lactoylglutathione lyase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03345 Beta-Mercaptoethanol Thumb
2 Experimental SmallMoleculeDrug DB03330 S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione Thumb
3 Experimental SmallMoleculeDrug DB04132 S-Hexylglutathione Thumb
4 Experimental SmallMoleculeDrug DB03602 S-Benzyl-Glutathione Thumb
5 Experimental SmallMoleculeDrug DB08179 methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate Thumb
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00143 Glutathione Thumb
7 Experimental SmallMoleculeDrug DB03130 S-P-Nitrobenzyloxycarbonylglutathione Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB00328 Indomethacin Thumb


20 predicted interactions (drugs) of input target (GLO1): Lactoylglutathione lyase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB03003 Glutathione Sulfonic Acid Thumb 37.7%
2 Investigational SmallMoleculeDrug DB05147 CYT997 Thumb 31.5%
3 Experimental SmallMoleculeDrug DB01915 S-Hydroxycysteine Thumb 28.9%
4 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 25.7%
5 Experimental SmallMoleculeDrug DB02266 Flufenamic Acid Thumb 25.7%
6 Approved SmallMoleculeDrug DB00316 Acetaminophen Thumb 24.9%
7 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb 23.7%
8 Experimental SmallMoleculeDrug DB02486 2-Hydroxyethyl Disulfide Thumb 22.0%
9 Experimental SmallMoleculeDrug DB03661 Cysteinesulfonic Acid Thumb 21.5%
10 Experimental SmallMoleculeDrug DB04799 5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole Thumb 20.8%
11 Approved;
Investigational		 SmallMoleculeDrug DB09462 Glycerin Thumb 20.5%
12 Approved;
Investigational		 SmallMoleculeDrug DB01025 Amlexanox Thumb 19.9%
13 Investigational SmallMoleculeDrug DB13014 Hypericin Thumb 19.8%
14 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 19.6%
15 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 19.6%
16 Approved SmallMoleculeDrug DB01212 Ceftriaxone Thumb 19.5%
17 Experimental SmallMoleculeDrug DB08453 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE Thumb 19.5%
18 Approved;
Vet approved		 SmallMoleculeDrug DB00518 Albendazole Thumb 19.3%
19 Approved;
Vet approved		 SmallMoleculeDrug DB00586 Diclofenac Thumb 19.3%
20 Approved;
Vet approved		 SmallMoleculeDrug DB01009 Ketoprofen Thumb 19.0%


  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.