Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10673285

CCCCCCCC/C=C\CCCCCCCC[N+](O)(O)CCC.[Cl-]

nearest known ligand 0.47

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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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.46
SLC6A2 known ✓ P23975 1/20 0.46
FAAH O00519 4/20 0.47
TRPV1 Q8NER1 1/20 0.47
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
TOP1 P11387 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
KMT2A Q03164 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL21580248 0.98 FAAH (0.48) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL9575644 0.88 FAAH (0.47) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL28769371 0.88 FAAH (0.47) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL4893513 0.87 SLC22A1 (0.52) HSD17B10ALOX15TP53CYP3A4
Hydrochloric Acid SCHEMBL721018 0.87 SLC22A1 (0.52) HSD17B10ALOX15TP53CYP3A4
Hydrochloric Acid SCHEMBL4895225 0.87 SLC22A1 (0.52) HSD17B10ALOX15TP53CYP3A4
Hydrochloric Acid SCHEMBL9575880 0.87 SLC22A1 (0.52) HSD17B10ALOX15TP53CYP3A4
Hydrochloric Acid SCHEMBL491727 0.87 SLC22A1 (0.52) HSD17B10ALOX15TP53CYP3A4
SCHEMBL9575935 0.86 FAAH (0.48) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL6551720 0.86 FAAH (0.48) FAAHTRPV1TERTPTPN1PPARG

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
US-4761472-A Isolation and purification of hemin BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed