Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11602183

CCCCC[N+](C)=C(Cl)Cl.[Cl-]

nearest known ligand 0.36

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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 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL3161785 0.81
SCHEMBL17367646 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTHRBSMN1; SMN2LMNA
Hexane SCHEMBL11409372 0.71
Heptane SCHEMBL11409882 0.67
Nonane SCHEMBL11414685 0.67 TSHR (0.73) ALDH1A1TSHRTHRBTP53SMN1; SMN2
Octane SCHEMBL11411019 0.67 TSHR (0.73) ALDH1A1TSHRTHRBTP53SMN1; SMN2
Decane SCHEMBL11410043 0.67 TSHR (0.73) ALDH1A1TSHRTHRBTP53SMN1; SMN2
SCHEMBL5932738 0.66
Pentane SCHEMBL11410718 0.64
SCHEMBL1042256 0.64 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10

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-4101571-A REACTING SULFAMIC ACIDS WITH PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed