Hydrochloric Acid

SCHEMBL7165176

CC1=Cc2cc(CC(C)C)ccc2C1[Zr+2]C1C(C)=Cc2cc(CC(C)C)ccc21.[Cl-].[Cl-]

nearest known ligand 0.36

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	GABRA1	P14867	1/20	0.36

▸	GABRB2	P47870	1/20	0.36

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 SCHEMBL29612274	1.00	GABRA1 (0.36)	GABRA1GABRB2
Hydrochloric Acid SCHEMBL7597788	0.80	GABRA1 (0.37)	GABRA1GABRB2
SCHEMBL27464415	0.78	GABRA1 (0.38)	GABRA1GABRB2
SCHEMBL27550028	0.78	GABRA1 (0.38)	GABRA1GABRB2
Hydrochloric Acid SCHEMBL6523675	0.77	—	—
Hydrochloric Acid SCHEMBL7604053	0.77	GABRA1 (0.37)	GABRA1GABRB2
Hydrochloric Acid SCHEMBL27458775	0.77	GABRA1 (0.34)	GABRA1GABRB2
SCHEMBL7037401	0.76	GABRA1 (0.36)	GABRA1GABRB2
SCHEMBL7807233	0.76	GABRA1 (0.36)	GABRA1GABRB2
SCHEMBL7010411	0.75	GABRA1 (0.35)	GABRA1GABRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1313782-A1	POLYPROPYLENE POLYMERS	Exxonmobil Chemical Patents Inc. (US)	2003-05-28	—	—	EP	disclosed
WO-2002016455-A1	POLYPROPYLENE POLYMERS	EXXONMOBIL CHEMICAL PATENTS INC. (US)	2002-02-28	—	—	WO	disclosed