QuartataWeb 1.0

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB14006

No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter Image

1 Approved;
Nutraceutical SmallMoleculeDrug DB14006 Choline salicylate
C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O

8 known interactions (targets) of input drug (DB14006): Choline salicylate

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	1EHO; 1EHQ; 1KCJ; 1P0I; 1P0M; 1P0P; 1P0Q; 1XLU; 1XLV; 1XLW; 2J4C; 2PM8; 2WID; 2WIF; 2WIG; 2WIJ; 2WIK; 2WIL; 2WSL; 2XMB; 2XMC; 2XMD; 2XMG; 2XQF; 2XQG; 2XQI; 2XQJ; 2XQK; 2Y1K; 3DJY; 3DKK; 3O9M; 4AQD; 4AXB; 4B0O; 4B0P; 4BBZ; 4BDS; 4TPK; 4XII

20 predicted interactions (targets) of input drug (DB14006): Choline salicylate

No.	Gene	UniProt ID	Protein Name	Pathway	PDB	Confidence score
1	CHRNA4	P43681	Neuronal acetylcholine receptor subunit alpha-4	hsa04080; hsa04725; hsa05033	2GVT; 2LLY	50.6%
2	CHRNB2	P17787	Neuronal acetylcholine receptor subunit beta-2	hsa04080; hsa04725; hsa05033	2GVT; 2K58; 2K59; 2KSR; 2LM2	37.1%
3	CHRNA2	Q15822	Neuronal acetylcholine receptor subunit alpha-2	hsa04080	NA	35.8%
4	CHRNA3	P32297	Neuronal acetylcholine receptor subunit alpha-3	hsa04080; hsa04725	4ZK4	34.2%
5	GABRA1	P14867	Gamma-aminobutyric acid receptor subunit alpha-1	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	29.5%
6	GABRA4	P48169	Gamma-aminobutyric acid receptor subunit alpha-4	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	27.3%
7	CNR1	P21554	Cannabinoid receptor 1	hsa04015; hsa04080; hsa04714; hsa04723	1LVQ; 1LVR; 2B0Y; 2KOE	27.0%
8	GABRA6	Q16445	Gamma-aminobutyric acid receptor subunit alpha-6	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	26.1%
9	CHRNB4	P30926	Neuronal acetylcholine receptor subunit beta-4	hsa04080; hsa04725	2ASG	26.0%
10	HTR2A	P28223	5-hydroxytryptamine receptor 2A	hsa04020; hsa04080; hsa04540; hsa04726; hsa04750	NA	25.7%
11	GABRA3	P34903	Gamma-aminobutyric acid receptor subunit alpha-3	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	25.0%
12	GABRQ	Q9UN88	Gamma-aminobutyric acid receptor subunit theta	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	24.4%
13	GABRA2	P47869	Gamma-aminobutyric acid receptor subunit alpha-2	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	24.3%
14	GABRA5	P31644	Gamma-aminobutyric acid receptor subunit alpha-5	hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033	NA	23.7%
15	CHRNA10	Q9GZZ6	Neuronal acetylcholine receptor subunit alpha-10	hsa04080	NA	23.2%
16	GRIK2	Q13002	Glutamate receptor ionotropic, kainate 2	hsa04080; hsa04724	3QXM	22.8%
17	GABRG2	P18507	Gamma-aminobutyric acid receptor subunit gamma-2	hsa04080; hsa04723; hsa04727; hsa05032; hsa05033	NA	22.5%
18	CHRNB3	Q05901	Neuronal acetylcholine receptor subunit beta-3	hsa04080	NA	22.3%
19	CHRNA6	Q15825	Neuronal acetylcholine receptor subunit alpha-6	hsa04080; hsa04725; hsa05033	NA	22.2%
20	GABRB3	P28472	Gamma-aminobutyric acid receptor subunit beta-3	hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033	4COF	21.4%