QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P16152

No. Gene UniProt ID Protein Name Pathway PDB

1 CBR1 P16152 Carbonyl reductase [NADPH] 1 hsa00590; hsa00790; hsa00980; hsa01100; hsa05204 1WMA; 2PFG; 3BHI; 3BHJ; 3BHM; 4Z3D

6 known interactions (drugs) of input target (CBR1): Carbonyl reductase [NADPH] 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental; Investigational	SmallMoleculeDrug	DB01698	Rutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
2	Experimental	SmallMoleculeDrug	DB04463	3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol	CC(C)(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=CC(O)=C1
3	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
4	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02709	Resveratrol	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
5	Experimental	SmallMoleculeDrug	DB03556	2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400	CCOCCOCCOCCOCCOCCOCCOCCOCCO
6	Approved; Investigational	SmallMoleculeDrug	DB11672	Curcumin	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O

20 predicted interactions (drugs) of input target (CBR1): Carbonyl reductase [NADPH] 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC	33.3%
2	Approved; Investigational	SmallMoleculeDrug	DB09462	Glycerin	OCC(O)CO	25.4%
3	Investigational	SmallMoleculeDrug	DB06486	Enzastaurin	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12	23.8%
4	Approved	SmallMoleculeDrug	DB01039	Fenofibrate	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1	23.2%
5	Investigational	SmallMoleculeDrug	DB06089	ICA-105665	NA	20.9%
6	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12	20.7%
7	Approved	SmallMoleculeDrug	DB00244	Mesalazine	NC1=CC(C(O)=O)=C(O)C=C1	20.4%
8	Approved	SmallMoleculeDrug	DB13873	Fenofibric acid	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O	19.9%
9	Approved; Investigational	SmallMoleculeDrug	DB00412	Rosiglitazone	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1	19.9%
10	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB01708	Prasterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C	19.8%
11	Approved; Investigational	SmallMoleculeDrug	DB00313	Valproic Acid	CCCC(CCC)C(O)=O	19.6%
12	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O	19.6%
13	Experimental	SmallMoleculeDrug	DB08744	6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one	COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1	18.6%
14	Experimental	SmallMoleculeDrug	DB01863	Inositol 1,3,4,5-Tetrakisphosphate	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O	18.5%
15	Approved; Investigational	SmallMoleculeDrug	DB09071	Tasimelteon	[H][C@@]1(CN=C(O)CC)C[C@@]1([H])C1=C2CCOC2=CC=C1	18.4%
16	Experimental	SmallMoleculeDrug	DB07053	2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID	CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F	18.3%
17	Approved	SmallMoleculeDrug	DB01087	Primaquine	COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1	18.3%
18	Investigational	SmallMoleculeDrug	DB04468	Afimoxifene	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	18.2%
19	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	17.7%
20	Experimental	SmallMoleculeDrug	DB03600	Capric acid	CCCCCCCCCC(O)=O	17.6%