Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7179263

CCCc1cc(C)cc(CCC)c1N=C(C)c1cccc(C(C)=Nc2c(CCC)cc(C)cc2CCC)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.33

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Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7184995 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7180525 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7173625 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7173331 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7178225 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7178949 0.97 CYP1A2 (0.33) CYP1A2GRM5NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7183693 0.92 TLR8 (0.33) CYP1A2NOS1NOS2
Hydrochloric Acid SCHEMBL7183258 0.90 NOS3 (0.33) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL7178990 0.89 TLR8 (0.33) CYP1A2NOS1NOS2
Hydrochloric Acid SCHEMBL7188585 0.89 TLR8 (0.33) CYP1A2NOS1NOS2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed