Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7935429

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]C1C(C)=Cc2c(-c3ccccc3)cccc21.C[SiH2][Si](C)(C)C.[Cl-].[Cl-]

nearest known ligand 0.33

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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 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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 SCHEMBL2525982 0.90 PDCD1 (0.34) ADRA2AADRA2BADRA2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29564499 0.90 PDCD1 (0.34) ADRA2AADRA2BADRA2CCHRNB2CHRNA4
Fluoride Ion SCHEMBL7636064 0.87 PDCD1 (0.34) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6553574 0.86 PDCD1 (0.32) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL21980378 0.84 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL8633266 0.84 PDCD1 (0.30)
Hydrochloric Acid SCHEMBL7933266 0.84 MAPT (0.34)
Hydrochloric Acid SCHEMBL7933229 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8628885 0.81 TNF (0.35) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8633278 0.81 CA12 (0.33)

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-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed