Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904338

CCc1ccc(C2=Cc3c(CC)cccc3C2[Zr+2]C2C(c3ccc(CC)o3)=Cc3c(CC)cccc32)o1.[Cl-].[Cl-]

nearest known ligand 0.36

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 13)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 SCHEMBL6901818 0.91 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6901169 0.87 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6898052 0.85 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6903811 0.85 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6902683 0.84 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6902699 0.83 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6898163 0.82 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6905194 0.81 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6902101 0.81 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904279 0.81 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed