Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5086971

CCCCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[Cl-]

nearest known ligand 0.68

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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 1/20 0.45
CHRM1 known ✓ P11229 1/20 0.45
CHRM3 known ✓ P20309 1/20 0.45
SLC6A2 known ✓ P23975 1/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
TP53 P04637 2/20 0.68
MAPK1 P28482 2/20 0.68
HTT P42858 3/20 0.66
DNM1 Q05193 2/20 0.65
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC22A1 O15245 2/20 0.48
SLC22A2 O15244 1/20 0.48
CYP1A2 P05177 1/20 0.46
PSMD14 O00487 1/20 0.46
HSP90AA1 P07900 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
Hydrochloric Acid SCHEMBL5092637 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5092198 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5087008 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5092188 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL3791473 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5092481 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5093090 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL5092016 0.98 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ATP53MAPK1
SCHEMBL5285340 0.98 DNM1 (0.67) SMN1; SMN2MEN1KMT2ATP53MAPK1
SCHEMBL5297131 0.96 DNM1 (0.70) SMN1; SMN2MEN1KMT2ATP53MAPK1

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-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed