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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: O75600
No. Gene UniProt ID Protein Name Pathway PDB
1 GCAT O75600 2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial hsa00260 NA


2 known interactions (drugs) of input target (GCAT): 2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb
2 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb


20 predicted interactions (drugs) of input target (GCAT): 2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00160 L-Alanine Thumb 28.0%
2 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 23.3%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 21.9%
4 Approved;
Nutraceutical		 SmallMoleculeDrug DB00133 Serine Thumb 19.9%
5 Experimental SmallMoleculeDrug DB04083 N'-Pyridoxyl-Lysine-5'-Monophosphate Thumb 17.8%
6 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 17.6%
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb 17.4%
8 Experimental SmallMoleculeDrug DB02824 N-Pyridoxyl-Glycine-5-Monophosphate Thumb 15.9%
9 Experimental SmallMoleculeDrug DB02556 D-Phenylalanine Thumb 15.6%
10 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 15.2%
11 Experimental SmallMoleculeDrug DB08060 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID Thumb 13.7%
12 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00118 Ademetionine Thumb 13.0%
13 Experimental SmallMoleculeDrug DB02067 Triglu-5-Formyl-Tetrahydrofolate Thumb 12.6%
14 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb 12.4%
15 Experimental SmallMoleculeDrug DB02800 5-Hydroxymethylene-6-Hydrofolic Acid Thumb 12.4%
16 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 12.2%
17 Approved SmallMoleculeDrug DB01055 Mimosine Thumb 11.6%
18 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 11.5%
19 Approved;
Investigational		 SmallMoleculeDrug DB14011 Nabiximols Thumb 11.5%
20 Approved;
Nutraceutical		 SmallMoleculeDrug DB00170 Menadione Thumb 11.3%


  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.