Hydrochloric Acid

SCHEMBL6865971

Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.[Cl-].[Cl-].[Cl-].[Mn+3]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

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 4)

	gene	UniProt	supporting neighbours	confidence
▸	TOP1	P11387	2/20	0.45

▸	TERT	O14746	4/20	0.45

▸	CYCS	P99999	2/20	0.42

▸	ENPP2	Q13822	1/20	0.41

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 SCHEMBL30558880	1.00	TOP1 (0.45)	TOP1TERTCYCSENPP2
Hydrochloric Acid SCHEMBL2901359	0.96	TOP1 (0.45)	TOP1TERTCYCSENPP2
Hydrochloric Acid SCHEMBL21493256	0.96	TOP1 (0.45)	TOP1TERTCYCSENPP2
Hydrochloric Acid SCHEMBL29939540	0.96	TOP1 (0.45)	TOP1TERTCYCSENPP2
SCHEMBL174717	0.96	TERT (0.47)	TOP1TERTCYCSENPP2
SCHEMBL29582816	0.96	TERT (0.47)	TOP1TERTCYCSENPP2
SCHEMBL29648942	0.96	TERT (0.47)	TOP1TERTCYCSENPP2
SCHEMBL29353372	0.96	TERT (0.47)	TOP1TERTCYCSENPP2
SCHEMBL1313450	0.94	TERT (0.46)	TOP1TERTCYCSENPP2
SCHEMBL2895629	0.94	TERT (0.46)	TOP1TERTCYCSENPP2

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
US-6815543-B1	METALLOPORPHYRIN IN A NON-REACTIVE APROTIC SOLVENT	WARNER-LAMBERT COMPANY	2004-11-09	—	—	US	disclosed