Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8501240

COc1ccccc1[N+]#N.[Cl-]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

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
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 5/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ENPP2 Q13822 1/20 0.40
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39

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
SCHEMBL2875595 0.98 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL10935641 0.95 CA1 (0.52) CA1CA2CA7CA9CA12
Fluoride Ion SCHEMBL28269841 0.93 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL27698172 0.90 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL2687596 0.90 CA1 (0.46) CA1CA2CA7CA9CA12
Sulfuric Acid SCHEMBL27905058 0.86 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL11391039 0.86 CA1 (0.43) CA1CA2CA7CA9CA12
Sulfuric Acid SCHEMBL27905057 0.86 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL10878789 0.86 CA1 (0.43) CA1CA2CA7CA9CA12
Fluoride SCHEMBL28184117 0.85 CA1 (0.41) CA1CA2CA7CA9CA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599270-B1 Method of detecting phosphatase AISIN SEIKI (JP) 1999-05-12 EP claimed
EP-0599270-A2 Method of detecting phosphatase AISIN SEIKI KABUSHIKI KAISHA (JP) 1994-06-01 EP claimed
EP-0599270-B1 Method of detecting phosphatase AISIN SEIKI (JP) 1999-05-12 EP disclosed
US-5480791-A Method of detecting phosphatase AISIN SEIKI KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0599270-A2 Method of detecting phosphatase AISIN SEIKI KABUSHIKI KAISHA (JP) 1994-06-01 EP disclosed
US-3983000-A BONDED VIA AN O-DIANISIDINE RESIDUE CORNING GLASS WORKS (US) 1976-09-28 US disclosed
US-3930951-A 4,4'-BI(2-METHOXYBENZENE DIAZONIUM CHLORIDE) CORNING GLASS WORKS (US) 1976-01-06 US disclosed