QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P30041

No. Gene UniProt ID Protein Name Pathway PDB

1 PRDX6 P30041 Peroxiredoxin-6 hsa01100 1PRX

3 known interactions (drugs) of input target (PRDX6): Peroxiredoxin-6

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O
2	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]
3	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1

20 predicted interactions (drugs) of input target (PRDX6): Peroxiredoxin-6

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	57.0%
2	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4	37.9%
3	Experimental	SmallMoleculeDrug	DB04315	Guanosine-5'-Diphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	27.5%
4	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	26.4%
5	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	22.7%
6	Approved	BiotechDrug	DB00031	Tenecteplase	NA	20.2%
7	Experimental	SmallMoleculeDrug	DB03216	(1'r,2's)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-Yl)Adenine	NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O	19.8%
8	Experimental	SmallMoleculeDrug	DB03273	3'-Oxo-Adenosine	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O	19.6%
9	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]	19.5%
10	Experimental	SmallMoleculeDrug	DB03769	D-Eritadenine	[H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O	18.2%
11	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	17.4%
12	Approved	SmallMoleculeDrug	DB01592	Iron	[Fe]	16.9%
13	Experimental	SmallMoleculeDrug	DB01812	Adenosine-3'-5'-Diphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	16.7%
14	Investigational; Withdrawn	SmallMoleculeDrug	DB00197	Troglitazone	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O	16.5%
15	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	15.1%
16	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	15.0%
17	Approved	SmallMoleculeDrug	DB03619	Deoxycholic Acid	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C	14.6%
18	Experimental	SmallMoleculeDrug	DB02464	Benzylamine	NCC1=CC=CC=C1	14.5%
19	Experimental	SmallMoleculeDrug	DB04325	Phenethylamine	NCCC1=CC=CC=C1	14.5%
20	Experimental	SmallMoleculeDrug	DB03976	Phosphorylisopropane	CC(C)OP(O)(O)=O	14.1%