Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4463394

CCCCCCC1=Cc2c(-c3ccc(CCC)cc3)cccc2C1[Zr+2][Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.33

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 3/20 0.33
SLC6A3 known ✓ Q01959 2/20 0.30
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
ACHE known ✓ P22303 1/20 0.30
SLC6A4 P31645 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
TLR8 Q9NR97 1/20 0.33
DRD2 P14416 1/20 0.33
HSD17B10 Q99714 3/20 0.32
TSHR P16473 1/20 0.32
RARB P10826 7/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
RARA P10276 1/20 0.31
MTOR P42345 1/20 0.31

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 SCHEMBL4465423 0.97 SLC6A2 (0.35) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4480043 0.96 SLC6A2 (0.35) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4457513 0.96 SLC6A2 (0.35) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4465475 0.96 SLC6A2 (0.35) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4462941 0.96
Hydrochloric Acid SCHEMBL4469813 0.94 TLR8 (0.33) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4478037 0.92 HSD11B1 (0.32) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4477968 0.92
Hydrochloric Acid SCHEMBL4457247 0.92 SLC6A2 (0.35) SLC6A2SLC6A4HTR2AHTR2CTLR8
Hydrochloric Acid SCHEMBL4470345 0.91 HSD11B1 (0.32) TSHRRARBHSD11B1TP53RAB9A

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