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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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB03059
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03059 Acetoacetyl-CoA Thumb


3 known interactions (targets) of input drug (DB03059): Acetoacetyl-CoA
No. Gene UniProt ID Protein Name Pathway PDB
1 ACADS P16219 Short-chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa00650; hsa01100; hsa01200; hsa01212 2VIG
2 HADH Q16836 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial hsa00062; hsa00071; hsa00280; hsa00310; hsa00380; hsa00650; hsa01100; hsa01212 1F0Y; 1F12; 1F14; 1F17; 1IL0; 1LSJ; 1LSO; 1M75; 1M76; 2HDH; 3HAD; 3RQS
3 ECHS1 P30084 Enoyl-CoA hydratase, mitochondrial hsa00062; hsa00071; hsa00280; hsa00310; hsa00380; hsa00410; hsa00640; hsa00650; hsa01100; hsa01200; hsa01212 2HW5


20 predicted interactions (targets) of input drug (DB03059): Acetoacetyl-CoA
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 HSD17B10 Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 hsa00280; hsa01100; hsa05010 1F67; 1SO8; 1U7T; 2O23 33.6%
2 LPL P06858 Lipoprotein lipase hsa00561; hsa03320; hsa04979; hsa05010 NA 29.3%
3 HMOX1 P09601 Heme oxygenase 1 hsa00860; hsa01100; hsa04066; hsa04216; hsa04978; hsa05200; hsa05206; hsa05225; hsa05418 25.6%
4 DGAT2 Q96PD7 Diacylglycerol O-acyltransferase 2 hsa00561; hsa01100; hsa04975 NA 24.8%
5 DHFRL1 Q86XF0 Dihydrofolate reductase, mitochondrial hsa00670; hsa00790; hsa01100; hsa01523 NA 24.7%
6 GAPDHS O14556 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific hsa00010; hsa01100 3H9E; 3PFW 24.1%
7 ELOVL4 Q9GZR5 Elongation of very long chain fatty acids protein 4 hsa00062; hsa01100 NA 23.6%
8 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 23.4%
9 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA 22.1%
10 IMPDH2 P12268 Inosine-5'-monophosphate dehydrogenase 2 hsa00230; hsa00983; hsa01100 1B3O; 1NF7; 1NFB 22.1%
11 EPHX2 P34913 Bifunctional epoxide hydrolase 2 hsa00590; hsa01100; hsa04146 22.0%
12 TPO P07202 Thyroid peroxidase hsa00350; hsa01100; hsa04918; hsa05320 NA 20.4%
13 DHODH Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial hsa00240; hsa01100 20.0%
14 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 19.6%
15 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 19.5%
16 LCN9 Q8WX39 Epididymal-specific lipocalin-9 NA NA 19.5%
17 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 18.3%
18 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 18.2%
19 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 18.0%
20 NDUFA9 Q16795 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial hsa00190; hsa01100; hsa04714; hsa04723; hsa04932; hsa05010; hsa05012; hsa05016 NA 17.9%


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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.