Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8153299

C=C(C)C(=O)OCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[Cl-]

nearest known ligand 0.43

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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
CHRM1 known ✓ P11229 1/20 0.37
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
ELANE P08246 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL42893 0.79 HCAR2 (0.51) TDP1POLBAPEX1HTTALDH1A1
Hydrochloric Acid SCHEMBL8151452 0.78 TSHR (0.47) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL235139 0.78 MTNR1A (0.49) TDP1POLBAPEX1HTTTHRB
Methane SCHEMBL4468486 0.78 HCAR2 (0.50) TDP1POLBAPEX1HTTALDH1A1
Bromide SCHEMBL31315837 0.77 TSHR (0.46) TDP1POLBAPEX1HTTALDH1A1
Methacrylic Acid SCHEMBL8131805 0.76 HCAR2 (0.49) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL27973892 0.76 HCAR2 (0.49) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL148938 0.76 LMNA (0.60) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL9418501 0.75 POLB (0.40) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL13234390 0.75 ALDH1A1 (0.66) TDP1HTTALDH1A1TSHRELANE

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-6080885-A Process for preparing a phosphonium salt compound having an acryl group NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2000-06-27 US disclosed