Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7147494

CCCCCCCC/C=C\CCCCCCCCOC(C)(C[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Cl-]

nearest known ligand 0.46

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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
LPAR2 Q9HBW0 3/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL6831358 0.98 LPAR2 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL1906179 0.98 LPAR2 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL1127954 0.89 DNM1 (0.39)
SCHEMBL16311960 0.78 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL18184028 0.78 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
Hydrochloric Acid SCHEMBL8715666 0.77 LPAR3 (0.42) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL25804968 0.76 LPAR1 (0.37) LPAR2LPAR3LPAR1
SCHEMBL5514820 0.75 LPAR3 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL2301357 0.75 LPAR2 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL16311959 0.74 ALDH1A1 (0.51) TRPV1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363670-A1 POLYNUCLEOTIDE FORMULATION FOR ENHANCED INTRACELLULAR TRANSFER Aventis Pasteur (FR) 2003-11-26 EP disclosed
WO-2002067990-A1 POLYNUCLEOTIDE FORMULATION FOR ENHANCED INTRACELLULAR TRANSFER AVENTIS PASTEUR (FR) 2002-09-06 WO disclosed