Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7807228

[Cl-].[Cl-].[Zr+2]C1C=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.37

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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 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
MAPK1 P28482 2/20 0.35
TDP2 O95551 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MTNR1A P48039 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
Hydrochloric Acid SCHEMBL4084423 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDMAPK1
Hydrochloric Acid SCHEMBL29612346 0.79 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL1029195 0.79 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL27504827 0.79 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL5859267 0.79 KDM4E (0.36) ALDH1A1MAPTKDM4EHPGDMAPK1
Hydrochloric Acid SCHEMBL3685419 0.78 CHRNB2 (0.35) ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL7646636 0.76 SLC6A4 (0.35) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL7107904 0.75 MAPT (0.34) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL7807225 0.75 KDM4E (0.33) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL7811624 0.75 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDMAPK1

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-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed