Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9575705

CCCCCCCCCCCCCCCCCCOC[C@@H](COC(=O)OCC[n+]1ccccc1)NC(=O)OC.[Cl-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

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
PTAFR known ✓ P25105 1/20 0.36
CHRM2 known ✓ P08172 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
ACHE known ✓ P22303 1/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
PLA2G2C Q5R387 8/20 0.44
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP2 P42575 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSPD1 P10809 1/20 0.37
RAD52 P43351 1/20 0.37
HSPE1 P61604 1/20 0.37
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9576021 0.95 PLA2G2C (0.43) PLA2G2CMEN1MAPTMAPK1CASP2
Hydrochloric Acid SCHEMBL9576018 0.95 PLA2G2C (0.43) PLA2G2CMEN1MAPTMAPK1CASP2
Hydrochloric Acid SCHEMBL9576065 0.87 PLA2G2C (0.40) PLA2G2CPTAFRACHE
Hydrochloric Acid SCHEMBL9576068 0.87 PLA2G2C (0.40) PLA2G2CPTAFRACHE
Bromide SCHEMBL9575795 0.81 AKT1 (0.47) KMT2ASMN1; SMN2RAD52ABCB11ESR1
Bromide SCHEMBL9575791 0.81 AKT1 (0.47) KMT2ASMN1; SMN2RAD52ABCB11ESR1
Bromide SCHEMBL9575784 0.81 AKT1 (0.47) KMT2ASMN1; SMN2RAD52ABCB11ESR1
Bromide SCHEMBL9575968 0.79 EPHX1 (0.39) PLA2G2CKMT2ASMN1; SMN2RAD52CHRM2
Bromide SCHEMBL9575963 0.79 EPHX1 (0.39) PLA2G2CKMT2ASMN1; SMN2RAD52CHRM2
Bromide SCHEMBL9575965 0.79 EPHX1 (0.39) PLA2G2CKMT2ASMN1; SMN2RAD52CHRM2

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
US-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed