Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4474485

CCC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Zr+2][Si](C)C.[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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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 SCHEMBL4460800 0.91 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL5691375 0.90 SLC6A4 (0.32) ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4463538 0.89 CNR1 (0.30)
Hydrochloric Acid SCHEMBL4467053 0.87 CNR1 (0.35)
Hydrochloric Acid SCHEMBL4471570 0.81
Hydrochloric Acid SCHEMBL5689190 0.81 SLC6A4 (0.33)
Hydrochloric Acid SCHEMBL27493411 0.80 ALDH1A1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL4658320 0.80 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL2522861 0.79 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL7673965 0.78 ALDH1A1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed