Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6898648

CC(C)c1cccc2c1C=C(c1ccc(-c3ccccc3)o1)C2[Zr+2]C1C(c2ccc(-c3ccccc3)o2)=Cc2c(C(C)C)cccc21.[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 8)

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
HRH1 P35367 1/20 0.33
NQO2 P16083 1/20 0.31
ALOX5 P09917 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 SCHEMBL6902059 0.85 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6905133 0.84 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6902799 0.83 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6904304 0.81 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6903811 0.81 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6898052 0.81 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898059 0.81 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6903822 0.80 HSD17B1 (0.31)
Hydrochloric Acid SCHEMBL6902074 0.80 HPGD (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6901315 0.80 CHRM2 (0.34) 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