Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4476663

CCC([Zr+2])CC(C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

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 4)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 1/20 0.32
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
SIGMAR1 Q99720 6/20 0.32

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
SCHEMBL1921591 0.82 HTR2A (0.38) HTR6HTR2ASIGMAR1TACR1
Hydrochloric Acid SCHEMBL4479517 0.81 HTR2A (0.35) HTR6HTR2ASIGMAR1
SCHEMBL9860034 0.80 HTR2A (0.37) HTR6HTR2ASIGMAR1TACR1
SCHEMBL6673086 0.76 HTR2A (0.36) HTR6HTR2ASIGMAR1TACR1
Hydrochloric Acid SCHEMBL4476293 0.75 HTR6 (0.43) HTR6HTR2ASIGMAR1TACR1
Hydrochloric Acid SCHEMBL30216613 0.75 HTR2A (0.36) HTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL8676551 0.74 KDM4E (0.33) HTR6HTR2ASIGMAR1
SCHEMBL5034593 0.74 SIGMAR1 (0.38) HTR6HTR2ASIGMAR1TACR1
SCHEMBL30084485 0.74 SIGMAR1 (0.38) HTR6HTR2ASIGMAR1TACR1
Hydrochloric Acid SCHEMBL8853905 0.73 HTR2A (0.34) HTR6HTR2ASIGMAR1TACR1

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
EP-1671983-B1 Catalysts compositions for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA SA (ES) 2009-02-25 EP claimed