QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: O75908

No. Gene UniProt ID Protein Name Pathway PDB

1 SOAT2 O75908 Sterol O-acyltransferase 2 hsa00100; hsa04979 NA

1 known interactions (drugs) of input target (SOAT2): Sterol O-acyltransferase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Approved	SmallMoleculeDrug	DB01094	Hesperetin	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1

20 predicted interactions (drugs) of input target (SOAT2): Sterol O-acyltransferase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	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	25.1%
2	Investigational	SmallMoleculeDrug	DB04852	Implitapide	CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1	19.6%
3	Approved; Investigational	SmallMoleculeDrug	DB08827	Lomitapide	FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12	18.8%
4	Approved	SmallMoleculeDrug	DB03147	Flavin adenine dinucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	16.8%
5	Investigational	SmallMoleculeDrug	DB05678	SLx-4090	COC1=CC=CC(C(O)=NC2=CC=C3CN(CCC3=C2)C(=O)OC2=CC=CC=C2)=C1C1=CC=C(C=C1)C(F)(F)F	16.2%
6	Approved	SmallMoleculeDrug	DB00973	Ezetimibe	O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1	13.8%
7	Approved; Nutraceutical	SmallMoleculeDrug	DB00136	Calcitriol	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C	13.1%
8	Approved; Withdrawn	SmallMoleculeDrug	DB04824	Phenolphthalein	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1	12.9%
9	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	12.8%
10	Approved; Investigational	SmallMoleculeDrug	DB00890	Dienestrol	CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	12.7%
11	Investigational	SmallMoleculeDrug	DB01645	Genistein	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O	12.6%
12	Approved	SmallMoleculeDrug	DB09371	Norethynodrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3	12.4%
13	Experimental	SmallMoleculeDrug	DB04429	4'-Hydroxyflavanone	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=CC=C2O1	12.3%
14	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB01065	Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	11.8%
15	Approved; Investigational	SmallMoleculeDrug	DB01411	Pranlukast	O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1	11.7%
16	Approved	SmallMoleculeDrug	DB00515	Cisplatin	N[Pt](N)(Cl)Cl	11.7%
17	Approved	SmallMoleculeDrug	DB11221	Dioxybenzone	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O	11.5%
18	Approved; Investigational	SmallMoleculeDrug	DB00293	Raltitrexed	CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O	11.5%
19	Experimental	SmallMoleculeDrug	DB03214	Vinylglycine	N[C@@H](C=C)C(O)=O	11.4%
20	Approved; Investigational	SmallMoleculeDrug	DB00642	Pemetrexed	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(CCC2=CNC3=C2C(O)=NC(=N)N3)C=C1)C(O)=O	10.9%