Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5600346

CC1=CCC([Hf+2]C2C(n3cnc4ccccc43)=Cc3ccccc32)=C1C.[Cl-].[Cl-]

nearest known ligand 0.34

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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 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
POLB P06746 1/20 0.34
FGFR1 P11362 2/20 0.33
MAPK1 P28482 1/20 0.33
MKNK1 Q9BUB5 5/20 0.32
MKNK2 Q9HBH9 5/20 0.32
ROCK1 Q13464 1/20 0.31

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 SCHEMBL5603384 0.82
Hydrochloric Acid SCHEMBL5603327 0.82 RAB9A (0.33)
Hydrochloric Acid SCHEMBL5602483 0.81 BIRC5 (0.31)
Hydrochloric Acid SCHEMBL5601367 0.81
Hydrochloric Acid SCHEMBL5604179 0.80
Hydrochloric Acid SCHEMBL5602113 0.79 POLB (0.35) HTTPOLBFGFR1MAPK1MKNK1
Hydrochloric Acid SCHEMBL5603648 0.79 POLB (0.44) HTTPOLBFGFR1MKNK1MKNK2
Hydrochloric Acid SCHEMBL5602063 0.78
Hydrochloric Acid SCHEMBL5601384 0.78 NOTUM (0.31)
Hydrochloric Acid SCHEMBL5601543 0.78 CYP11B2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed