Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4227985

CCCCCC[n+]1cc[nH]c1CC.[Cl-]

nearest known ligand 0.40

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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
CHRM2 known ✓ P08172 2/20 0.37
CHRM1 known ✓ P11229 2/20 0.37
ACHE known ✓ P22303 2/20 0.37
SLC6A2 known ✓ P23975 2/20 0.37
SLC6A3 known ✓ Q01959 2/20 0.37
CHRM3 known ✓ P20309 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CASP2 P42575 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 5/20 0.39
RAD52 P43351 4/20 0.39
LMNA P02545 4/20 0.39

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 SCHEMBL13274432 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL902005 0.98 KMT2A (0.41) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL4230747 0.98 KMT2A (0.41) SMN1; SMN2KMT2AMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL4233269 0.98 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL4227897 0.96 KMT2A (0.38) SMN1; SMN2KMT2AMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL4222866 0.93 MEN1 (0.31) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL2438427 0.92 KMT2A (0.37) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL329039 0.91 HTT (0.32) SMN1; SMN2KMT2AMEN1MAPTMAPK1
Iodide SCHEMBL4267896 0.89 NPC1 (0.34) SMN1; SMN2KMT2AMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL4362637 0.88 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO disclosed