Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6900458

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(CCC)o2)C3[Zr+2]C2C(c3ccc(CCC)o3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.30
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARB P10826 6/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.30
DRD2 P14416 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 SCHEMBL6903364 0.96 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6901874 0.94 ALOX5 (0.32) ALOX5PTGS1PTGS2TSHRHSD17B10
Hydrochloric Acid SCHEMBL6904276 0.93
Hydrochloric Acid SCHEMBL6904462 0.91
Hydrochloric Acid SCHEMBL6901945 0.90 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6898160 0.89 RARB (0.33) PTGS1PTGS2CHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL6901804 0.89 HSD11B1 (0.36) RARBMEN1ALDH1A1RARAMAPT
Hydrochloric Acid SCHEMBL6903498 0.88 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6902479 0.87 KDM4E (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL6902512 0.87 ALDH1A1 (0.33) 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