QuartataWeb 1.0

8 known interactions (drugs) of input target (AKR1C1): Aldo-keto reductase family 1 member C1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB03461	2'-Monophosphoadenosine 5'-Diphosphoribose	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
2	Experimental	SmallMoleculeDrug	DB07768	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE	[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
3	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O
4	Experimental	SmallMoleculeDrug	DB03467	Naringenin	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1
5	Withdrawn	SmallMoleculeDrug	DB07931	Hexestrol	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1
6	Experimental	SmallMoleculeDrug	DB04674	2-HYDROXY-3,5-DIIODOBENZOIC ACID	OC(=O)C1=C(O)C(I)=CC(I)=C1
7	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
8	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00936	Salicylic acid	OC(=O)C1=CC=CC=C1O

20 predicted interactions (drugs) of input target (AKR1C1): Aldo-keto reductase family 1 member C1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1	31.0%
2	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	29.7%
3	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	28.2%
4	Approved	SmallMoleculeDrug	DB06777	Chenodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	26.8%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00159	Icosapent	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	26.2%
6	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O	25.3%
7	Approved; Vet approved	SmallMoleculeDrug	DB00396	Progesterone	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	25.2%
8	Approved; Investigational	SmallMoleculeDrug	DB01586	Ursodeoxycholic acid	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O	24.1%
9	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA	22.7%
10	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	21.4%
11	Investigational	SmallMoleculeDrug	DB06199	Atrasentan	CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1	21.2%
12	Approved; Investigational	SmallMoleculeDrug	DB06403	Ambrisentan	COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1	21.2%
13	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1	21.0%
14	Approved; Nutraceutical	SmallMoleculeDrug	DB00126	Vitamin C	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO	21.0%
15	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB06268	Sitaxentan	CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl	20.8%
16	Approved; Withdrawn	SmallMoleculeDrug	DB09092	Xanthinol	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C	20.7%
17	Approved; Investigational	SmallMoleculeDrug	DB00313	Valproic Acid	CCCC(CCC)C(O)=O	20.6%
18	Approved	SmallMoleculeDrug	DB00630	Alendronic acid	NCCCC(O)(P(O)(O)=O)P(O)(O)=O	20.5%
19	Approved	SmallMoleculeDrug	DB00244	Mesalazine	NC1=CC(C(O)=O)=C(O)C=C1	20.3%
20	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB01404	Ginseng	NA	20.2%