QuartataWeb 1.0

16 known interactions (drugs) of input target (CA4): Carbonic anhydrase 4

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB00436	Bendroflumethiazide	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F
2	Approved	SmallMoleculeDrug	DB00703	Methazolamide	CN1N=C(SC1=NC(C)=O)S(N)(=O)=O
3	Approved	SmallMoleculeDrug	DB01194	Brinzolamide	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
4	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12
5	Approved	SmallMoleculeDrug	DB00232	Methyclothiazide	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O
6	Approved	SmallMoleculeDrug	DB09460	Sodium carbonate	[Na+].[Na+].[O-]C([O-])=O
7	Approved	SmallMoleculeDrug	DB00562	Benzthiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1
8	Approved; Vet approved	SmallMoleculeDrug	DB01021	Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl
9	Approved; Investigational	SmallMoleculeDrug	DB00774	Hydroflumethiazide	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F
10	Approved	SmallMoleculeDrug	DB00869	Dorzolamide	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
11	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
12	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
13	Approved	SmallMoleculeDrug	DB00606	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2
14	Approved; Investigational	SmallMoleculeDrug	DB01144	Diclofenamide	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O
15	Withdrawn	SmallMoleculeDrug	DB00311	Ethoxzolamide	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O
16	Approved; Vet approved	SmallMoleculeDrug	DB00819	Acetazolamide	CC(=O)NC1=NN=C(S1)S(N)(=O)=O

20 predicted interactions (drugs) of input target (CA4): Carbonic anhydrase 4

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB01119	Diazoxide	CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2	62.1%
2	Approved; Vet approved	SmallMoleculeDrug	DB00999	Hydrochlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1	58.5%
3	Experimental	SmallMoleculeDrug	DB08155	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O	56.5%
4	Approved	SmallMoleculeDrug	DB01325	Quinethazone	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O	55.5%
5	Approved; Vet approved	SmallMoleculeDrug	DB00880	Chlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1	53.5%
6	Approved; Illicit; Withdrawn	SmallMoleculeDrug	DB01031	Ethinamate	NC(=O)OC1(CCCCC1)C#C	53.1%
7	Experimental	SmallMoleculeDrug	DB08157	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O	53.1%
8	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	50.2%
9	Approved; Vet approved	SmallMoleculeDrug	DB09472	Sodium sulfate	[Na+].[Na+].[O-]S([O-])(=O)=O	50.1%
10	Approved; Vet approved	SmallMoleculeDrug	DB00423	Methocarbamol	COC1=CC=CC=C1OCC(O)COC(N)=O	49.1%
11	Experimental	SmallMoleculeDrug	DB08156	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1	48.1%
12	Approved	SmallMoleculeDrug	DB00381	Amlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC	47.0%
13	Approved; Investigational	SmallMoleculeDrug	DB00391	Sulpiride	CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O	44.4%
14	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00580	Valdecoxib	CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O	43.0%
15	Investigational	SmallMoleculeDrug	DB12418	Saccharin	O=C1NS(=O)(=O)C2=C1C=CC=C2	40.9%
16	Approved; Experimental; Investigational	SmallMoleculeDrug	DB01942	Formic Acid	OC=O	37.0%
17	Experimental	SmallMoleculeDrug	DB04763	1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM	CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1	33.5%
18	Approved; Vet approved	SmallMoleculeDrug	DB00695	Furosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	33.2%
19	Experimental	SmallMoleculeDrug	DB03526	AL5927	COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1	32.5%
20	Experimental	SmallMoleculeDrug	DB03385	4-Methylimidazole	CC1=CN=CN1	31.2%