QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P35218

No. Gene UniProt ID Protein Name Pathway PDB

1 CA5A P35218 Carbonic anhydrase 5A, mitochondrial hsa00910 NA

4 known interactions (drugs) of input target (CA5A): Carbonic anhydrase 5A, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB01194	Brinzolamide	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
2	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12
3	Experimental	SmallMoleculeDrug	DB03385	4-Methylimidazole	CC1=CN=CN1
4	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2

20 predicted interactions (drugs) of input target (CA5A): Carbonic anhydrase 5A, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Vet approved	SmallMoleculeDrug	DB00819	Acetazolamide	CC(=O)NC1=NN=C(S1)S(N)(=O)=O	46.8%
2	Approved; Investigational	SmallMoleculeDrug	DB01144	Diclofenamide	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O	42.0%
3	Approved	SmallMoleculeDrug	DB00562	Benzthiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1	41.1%
4	Withdrawn	SmallMoleculeDrug	DB00311	Ethoxzolamide	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O	39.0%
5	Approved	SmallMoleculeDrug	DB00606	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2	38.5%
6	Approved	SmallMoleculeDrug	DB00703	Methazolamide	CN1N=C(SC1=NC(C)=O)S(N)(=O)=O	35.6%
7	Approved	SmallMoleculeDrug	DB00273	Topiramate	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2	33.6%
8	Approved	SmallMoleculeDrug	DB09460	Sodium carbonate	[Na+].[Na+].[O-]C([O-])=O	32.4%
9	Approved	SmallMoleculeDrug	DB00869	Dorzolamide	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	32.3%
10	Approved; Investigational	SmallMoleculeDrug	DB00774	Hydroflumethiazide	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F	32.1%
11	Approved; Investigational	SmallMoleculeDrug	DB00482	Celecoxib	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F	27.7%
12	Experimental	SmallMoleculeDrug	DB08155	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O	26.0%
13	Approved	SmallMoleculeDrug	DB00436	Bendroflumethiazide	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F	25.9%
14	Approved; Vet approved	SmallMoleculeDrug	DB00423	Methocarbamol	COC1=CC=CC=C1OCC(O)COC(N)=O	24.7%
15	Approved; Vet approved	SmallMoleculeDrug	DB00880	Chlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1	24.5%
16	Approved; Investigational	SmallMoleculeDrug	DB05541	Brivaracetam	CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1	24.4%
17	Investigational	SmallMoleculeDrug	DB12418	Saccharin	O=C1NS(=O)(=O)C2=C1C=CC=C2	23.9%
18	Experimental	SmallMoleculeDrug	DB08156	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1	23.9%
19	Approved	SmallMoleculeDrug	DB13269	Dichlorobenzyl alcohol	OCC1=C(Cl)C=C(Cl)C=C1	23.0%
20	Approved; Experimental; Investigational	SmallMoleculeDrug	DB01942	Formic Acid	OC=O	21.8%