Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9198699

[Cl-].[Cl-].[Zr+2]N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

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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
ALDH1A1 P00352 8/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL27361167 0.72 ALDH1A1 (0.63) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL29226730 0.69 ALDH1A1 (0.60) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
SCHEMBL30959 0.67 ALDH1A1 (0.67) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
SCHEMBL453160 0.67 ALDH1A1 (0.67) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
SCHEMBL9490577 0.67 ALDH1A1 (0.67) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
SCHEMBL301494 0.67 ALDH1A1 (0.45) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
Benzene SCHEMBL28083527 0.67 ALDH1A1 (0.67) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL727749 0.67 ALDH1A1 (0.40) ALDH1A1MAPTTDP1CYP3A4HPGD
Hydrochloric Acid SCHEMBL7639263 0.67 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A
SCHEMBL30893870 0.67 ALDH1A1 (0.62) ALDH1A1NPSR1ALOX15L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538749-B1 Propylene copolymer composition MITSUBISHI PETROCHEMICAL CO (JP) 1995-01-11 EP disclosed
US-5331054-A Blends; heat sealing film for packaging MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1994-07-19 US disclosed
EP-0538749-A1 Propylene copolymer composition MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-04-28 EP disclosed