Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6901804

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Zr+2]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.[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 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
HSD11B1 P28845 3/20 0.36
EIF4A1 P60842 5/20 0.33
RARB P10826 6/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARA P10276 1/20 0.33
MAPT P10636 1/20 0.33
MTOR P42345 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 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
Hydrochloric Acid SCHEMBL6903263 0.96 EIF4A1 (0.36) HSD11B1EIF4A1
Hydrochloric Acid SCHEMBL6901876 0.92 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL6898160 0.89 RARB (0.33) HSD11B1RARBMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL6903886 0.89 NQO2 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL6900458 0.89 ALOX5 (0.34) HSD11B1RARBMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL6901874 0.89 ALOX5 (0.32) HSD11B1RARBMEN1ALDH1A1RARA
SCHEMBL6902721 0.85 HSD11B1 (0.37) HSD11B1EIF4A1RARBMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6904729 0.85 HSD11B1 (0.32) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6902799 0.84 CHRM2 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL6903364 0.84 CHRM2 (0.34) ALDH1A1MAPT

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