Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11515186

CN(C)/C=C/c1sc2cc(N(C)C)ccc2[n+]1C.[Cl-]

nearest known ligand 0.59

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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 19)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 14/20 0.59
▸ POLB P06746 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ APP P05067 2/20 0.46
▸ SNCA P37840 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ TNF P01375 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADRB2 P07550 2/20 0.37
▸ ADRB1 P08588 1/20 0.37

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 SCHEMBL11515189 1.00 INSR (0.59) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516293 0.84 INSR (0.64) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516284 0.84 INSR (0.64) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516045 0.83 INSR (0.51) INSRPOLBRAB9ANSD2MAPT
SCHEMBL14984268 0.83 INSR (0.82) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516042 0.83 INSR (0.51) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516421 0.80 INSR (0.60) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516423 0.80 INSR (0.60) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516037 0.78 INSR (0.68) INSRPOLBRAB9ANSD2MAPT
Hydrochloric Acid SCHEMBL11516847 0.78 INSR (0.50) INSRPOLBRAB9AMAPTMAPK1

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-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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