QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q96PD7

No. Gene UniProt ID Protein Name Pathway PDB

1 DGAT2 Q96PD7 Diacylglycerol O-acyltransferase 2 hsa00561; hsa01100; hsa04975 NA

2 known interactions (drugs) of input target (DGAT2): Diacylglycerol O-acyltransferase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved; Investigational	SmallMoleculeDrug	DB09568	Omega-3-carboxylic acids	NA
2	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA

20 predicted interactions (drugs) of input target (DGAT2): Diacylglycerol O-acyltransferase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB04855	Dronedarone	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2	28.6%
2	Approved	SmallMoleculeDrug	DB00825	Menthol	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O	28.1%
3	Approved	SmallMoleculeDrug	DB00661	Verapamil	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1	27.8%
4	Experimental	SmallMoleculeDrug	DB03059	Acetoacetyl-CoA	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	24.8%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	24.8%
6	Approved; Investigational	SmallMoleculeDrug	DB00393	Nimodipine	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C	24.0%
7	Approved; Experimental	SmallMoleculeDrug	DB13751	Glycyrrhizic acid	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	23.8%
8	Approved; Investigational	SmallMoleculeDrug	DB00786	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	23.2%
9	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1	21.6%
10	Investigational; Withdrawn	SmallMoleculeDrug	DB01388	Mibefradil	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C	20.9%
11	Approved; Investigational	SmallMoleculeDrug	DB11633	Isavuconazole	[H][C@](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	20.7%
12	Approved; Investigational	SmallMoleculeDrug	DB09236	Lacidipine	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC	20.7%
13	Approved; Investigational	SmallMoleculeDrug	DB09232	Cilnidipine	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1	20.3%
14	Approved; Investigational	SmallMoleculeDrug	DB09238	Manidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	20.3%
15	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1	20.2%
16	Approved; Investigational	SmallMoleculeDrug	DB09231	Benidipine	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1	20.1%
17	Approved	SmallMoleculeDrug	DB00898	Ethanol	CCO	20.0%
18	Approved; Investigational	SmallMoleculeDrug	DB09229	Aranidipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O	19.9%
19	Approved; Nutraceutical	SmallMoleculeDrug	DB00132	Alpha-Linolenic Acid	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	19.7%
20	Approved	SmallMoleculeDrug	DB01050	Ibuprofen	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O	18.9%