Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5601577

C1=C(n2cnc3ccccc32)C([Zr+2]C2C(n3cnc4ccccc43)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.44

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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
POLB P06746 1/20 0.44
HTT P42858 2/20 0.44
FGFR1 P11362 6/20 0.40
ROCK1 Q13464 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5601092 0.88 POLB (0.37) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5603648 0.81 POLB (0.44) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5600854 0.81 POLB (0.44) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5603082 0.80 POLB (0.35) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5602397 0.79 HTT (0.34) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5600472 0.79 HTT (0.34) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5602330 0.79 HTT (0.34) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5602711 0.79 HTT (0.34) POLBHTTFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL5601451 0.76 POLB (0.34) POLBHTTFGFR1MKNK1MKNK2
Hydrochloric Acid SCHEMBL5601924 0.75 RAB9A (0.43) POLBALDH1A1

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 2 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
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed