Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5086852

CCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

nearest known ligand 0.52

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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 0.43
CHRM1 known ✓ P11229 1/20 0.43
CHRM3 known ✓ P20309 1/20 0.43
SLC6A2 known ✓ P23975 1/20 0.43
SLC6A3 known ✓ Q01959 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 3/20 0.50
DNM1 Q05193 3/20 0.48
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43

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 SCHEMBL5086790 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5088536 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5084846 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5091538 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5087687 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5085131 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5093075 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5092782 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
Hydrochloric Acid SCHEMBL5087186 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPK1TP53
SCHEMBL5305013 0.98 DNM1 (0.50) SMN1; SMN2MEN1KMT2AMAPK1TP53

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