Hydrochloric Acid

SCHEMBL3270199

CC(C)C1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1cccc(Cl)c1)c1cccc(Cl)c1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2 known ✓	P23975	2/20	0.32

▸	CHRNA1 known ✓	P02708	1/20	0.32

▸	CHRNG known ✓	P07510	1/20	0.32

▸	CHRNB1 known ✓	P11230	1/20	0.32

▸	SLC6A3 known ✓	Q01959	1/20	0.32

▸	CHRND known ✓	Q07001	1/20	0.32

▸	CYP2B6	P20813	1/20	0.32

▸	ITGA5	P08648	1/20	0.32

▸	CHRNB2	P17787	1/20	0.32

▸	CHRNB4	P30926	1/20	0.32

▸	SLC6A4	P31645	1/20	0.32

▸	CHRNA3	P32297	1/20	0.32

▸	CYP2C19	P33261	1/20	0.32

▸	HRH1	P35367	1/20	0.32

▸	CHRNA7	P36544	1/20	0.32

▸	OPRK1	P41145	1/20	0.32

▸	CHRNA4	P43681	1/20	0.32

▸	KCNH2	Q12809	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.31

▸	BLM	P54132	1/20	0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
Hydrochloric Acid SCHEMBL3274639	0.90	CYP2B6 (0.30)	CYP2B6SLC6A2CHRNA1CHRNGITGA5
Hydrochloric Acid SCHEMBL3270225	0.89	—	—
Hydrochloric Acid SCHEMBL3270797	0.89	—	—
Hydrochloric Acid SCHEMBL3276978	0.87	NPSR1 (0.33)	ALDH1A1
Hydrochloric Acid SCHEMBL1236116	0.84	ALDH1A1 (0.30)	ALDH1A1
Hydrochloric Acid SCHEMBL3273350	0.84	MEN1 (0.33)	—
Hydrochloric Acid SCHEMBL1236234	0.83	—	—
Hydrochloric Acid SCHEMBL3277388	0.82	NPC1 (0.30)	ALDH1A1
Hydrochloric Acid SCHEMBL3269784	0.82	—	—
Hydrochloric Acid SCHEMBL3278866	0.81	—	—

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1803742-B1	PROCESS FOR PRODUCING PROPYLENE POLYMER	MITSUI CHEMICALS INC (JP)	2010-06-23	—	—	EP	disclosed