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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: DB01074
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB01074 Perhexiline Thumb


3 known interactions (targets) of input drug (DB01074): Perhexiline
No. Gene UniProt ID Protein Name Pathway PDB
1 CPT1A P50416 Carnitine O-palmitoyltransferase 1, liver isoform hsa00071; hsa01212; hsa03320; hsa04152; hsa04714; hsa04920; hsa04922; hsa04931 2LE3
2 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA
3 CPT2 P23786 Carnitine O-palmitoyltransferase 2, mitochondrial hsa00071; hsa01212; hsa03320; hsa04714 NA


20 predicted interactions (targets) of input drug (DB01074): Perhexiline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 32.3%
2 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 30.8%
3 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 29.5%
4 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 28.7%
5 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 26.7%
6 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 26.3%
7 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 26.0%
8 SLC25A20 O43772 Mitochondrial carnitine/acylcarnitine carrier protein hsa04714 NA 25.3%
9 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 24.8%
10 ORM2 P19652 Alpha-1-acid glycoprotein 2 NA 3APU; 3APV; 3APW; 3APX 24.6%
11 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 23.7%
12 MPO P05164 Myeloperoxidase hsa00983; hsa04145; hsa05202; hsa05221 1CXP; 1D2V; 1D5L; 1D7W; 1DNU; 1DNW; 1MHL; 1MYP; 3F9P; 3ZS0; 3ZS1; 4C1M; 4DL1; 4EJX; 5FIW 23.7%
13 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 22.5%
14 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q 22.4%
15 ALB P02768 Serum albumin hsa04918 21.7%
16 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 21.7%
17 KCNJ11 Q14654 ATP-sensitive inward rectifier potassium channel 11 hsa04911; hsa04930 NA 21.7%
18 KCNJ8 Q15842 ATP-sensitive inward rectifier potassium channel 8 hsa04022 NA 21.6%
19 HIF1AN Q9NWT6 Hypoxia-inducible factor 1-alpha inhibitor NA 21.6%
20 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 21.5%



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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.