QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q16790

No. Gene UniProt ID Protein Name Pathway PDB

1 CA9 Q16790 Carbonic anhydrase 9 hsa00910 2HKF; 3IAI; 5FL4; 5FL5; 5FL6

6 known interactions (drugs) of input target (CA9): Carbonic anhydrase 9

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12
2	Approved	SmallMoleculeDrug	DB09460	Sodium carbonate	[Na+].[Na+].[O-]C([O-])=O
3	Approved	SmallMoleculeDrug	DB00562	Benzthiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1
4	Approved; Investigational	SmallMoleculeDrug	DB00774	Hydroflumethiazide	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F
5	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
6	Investigational	SmallMoleculeDrug	DB05304	WX-G250	NA

20 predicted interactions (drugs) of input target (CA9): Carbonic anhydrase 9

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	54.4%
2	Approved	SmallMoleculeDrug	DB01194	Brinzolamide	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	44.9%
3	Approved; Investigational	SmallMoleculeDrug	DB01144	Diclofenamide	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O	44.3%
4	Approved	SmallMoleculeDrug	DB00606	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2	41.9%
5	Withdrawn	SmallMoleculeDrug	DB00311	Ethoxzolamide	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O	41.7%
6	Approved	SmallMoleculeDrug	DB00436	Bendroflumethiazide	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F	40.5%
7	Approved; Vet approved	SmallMoleculeDrug	DB01021	Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl	39.3%
8	Approved	SmallMoleculeDrug	DB00703	Methazolamide	CN1N=C(SC1=NC(C)=O)S(N)(=O)=O	37.5%
9	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	36.3%
10	Approved	SmallMoleculeDrug	DB00232	Methyclothiazide	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O	36.1%
11	Approved	SmallMoleculeDrug	DB01119	Diazoxide	CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2	36.0%
12	Approved	SmallMoleculeDrug	DB00869	Dorzolamide	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	36.0%
13	Approved; Vet approved	SmallMoleculeDrug	DB00880	Chlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1	32.2%
14	Approved; Vet approved	SmallMoleculeDrug	DB00999	Hydrochlorothiazide	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1	30.4%
15	Approved; Illicit; Withdrawn	SmallMoleculeDrug	DB01031	Ethinamate	NC(=O)OC1(CCCCC1)C#C	28.5%
16	Approved	SmallMoleculeDrug	DB01325	Quinethazone	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O	28.0%
17	Experimental	SmallMoleculeDrug	DB08156	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1	27.8%
18	Approved; Vet approved	SmallMoleculeDrug	DB09472	Sodium sulfate	[Na+].[Na+].[O-]S([O-])(=O)=O	26.5%
19	Approved; Vet approved	SmallMoleculeDrug	DB00423	Methocarbamol	COC1=CC=CC=C1OCC(O)COC(N)=O	26.1%
20	Experimental	SmallMoleculeDrug	DB08155	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O	25.7%