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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: DB00122
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00122 Choline Thumb


8 known interactions (targets) of input drug (DB00122): Choline
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
2 PCYT1B Q9Y5K3 Choline-phosphate cytidylyltransferase B hsa00440; hsa00564; hsa01100; hsa05231 NA
3 PHOSPHO1 Q8TCT1 Phosphoethanolamine/phosphocholine phosphatase hsa00564; hsa01100 NA
4 PLD2 O14939 Phospholipase D2 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05231 NA
5 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN
6 PCYT1A P49585 Choline-phosphate cytidylyltransferase A hsa00440; hsa00564; hsa01100; hsa05231 NA
7 PLD1 Q13393 Phospholipase D1 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05200; hsa05212; hsa05231 NA
8 BCHE P06276 Cholinesterase NA


20 predicted interactions (targets) of input drug (DB00122): Choline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 42.8%
2 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 28.5%
3 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 27.4%
4 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 27.0%
5 CNR1 P21554 Cannabinoid receptor 1 hsa04015; hsa04080; hsa04714; hsa04723 1LVQ; 1LVR; 2B0Y; 2KOE 26.9%
6 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 25.8%
7 MYH14 Q7Z406 Myosin-14 hsa04530; hsa04810; hsa05132 2YCU 25.2%
8 ERBB2 P04626 Receptor tyrosine-protein kinase erbB-2 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04020; hsa04066; hsa04151; hsa04510; hsa04520; hsa04530; hsa05200; hsa05205; hsa05206; hsa05212; hsa05213; hsa05215; hsa05219; hsa05223; hsa05224; hsa05226; hsa05230 25.2%
9 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 25.1%
10 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 25.0%
11 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 24.8%
12 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 24.5%
13 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 24.4%
14 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 24.3%
15 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 24.3%
16 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 23.5%
17 SCN2A Q99250 Sodium channel protein type 2 subunit alpha hsa04742 2KAV; 4JPZ 23.2%
18 GABRA5 P31644 Gamma-aminobutyric acid receptor subunit alpha-5 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 23.0%
19 CHRNA6 Q15825 Neuronal acetylcholine receptor subunit alpha-6 hsa04080; hsa04725; hsa05033 NA 22.3%
20 CHRNB3 Q05901 Neuronal acetylcholine receptor subunit beta-3 hsa04080 NA 21.6%


  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.