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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: Q8TD30
No. Gene UniProt ID Protein Name Pathway PDB
1 GPT2 Q8TD30 Alanine aminotransferase 2 hsa00220; hsa00250; hsa01100; hsa01200; hsa01210; hsa01230 3IHJ


4 known interactions (drugs) of input target (GPT2): Alanine aminotransferase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00160 L-Alanine Thumb
2 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb
3 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb
4 Approved SmallMoleculeDrug DB00780 Phenelzine Thumb


20 predicted interactions (drugs) of input target (GPT2): Alanine aminotransferase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB04235 4-Amino Hexanoic Acid Thumb 27.2%
2 Approved SmallMoleculeDrug DB01080 Vigabatrin Thumb 24.4%
3 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 23.7%
4 Experimental SmallMoleculeDrug DB01699 (4e)-4-Aminohex-4-Enoic Acid Thumb 23.6%
5 Approved;
Nutraceutical		 SmallMoleculeDrug DB00133 Serine Thumb 22.7%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb 20.9%
7 Experimental SmallMoleculeDrug DB04083 N'-Pyridoxyl-Lysine-5'-Monophosphate Thumb 19.5%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 18.6%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB00128 L-Aspartic Acid Thumb 18.1%
10 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00119 Pyruvic acid Thumb 17.9%
11 Approved;
Investigational		 SmallMoleculeDrug DB01174 Phenobarbital Thumb 17.1%
12 Approved;
Nutraceutical		 SmallMoleculeDrug DB00161 L-Valine Thumb 16.1%
13 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 15.4%
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01392 Yohimbine Thumb 14.8%
15 Experimental SmallMoleculeDrug DB02142 Pyridoxamine-5'-Phosphate Thumb 14.4%
16 Approved;
Nutraceutical		 SmallMoleculeDrug DB00149 L-Leucine Thumb 14.0%
17 Experimental SmallMoleculeDrug DB08060 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID Thumb 13.6%
18 Approved;
Vet approved		 SmallMoleculeDrug DB01009 Ketoprofen Thumb 13.2%
19 Experimental SmallMoleculeDrug DB02635 N-[O-Phosphono-Pyridoxyl]-Isoleucine Thumb 13.1%
20 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb 13.0%


  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.