Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4499139

CC1=CCC([Ti+2]C2c3ccccc3-c3ccccc32)=C1.[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 14)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
ACHE known ✓ P22303 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
GPR3 P46089 1/20 0.32
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
HRH3 Q9Y5N1 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 SCHEMBL4480641 0.80 MEN1 (0.30)
Hydrochloric Acid SCHEMBL4499506 0.80 ACHE (0.31) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL396286 0.73 GPR3 (0.33) GPR3
Hydrochloric Acid SCHEMBL7103651 0.71 GPR3 (0.32) GPR3ACHE
SCHEMBL10436063 0.69 SLC6A2 (0.40) GPR3CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL2867400 0.68 GPR3 (0.32) GPR3
Hydrochloric Acid SCHEMBL1116197 0.68 GPR3 (0.32) GPR3
Hydrochloric Acid SCHEMBL7937640 0.67 GPR3 (0.31) GPR3
SCHEMBL6810291 0.66 GPR3 (0.32) GPR3
SCHEMBL7946954 0.66 HTR2A (0.40) GPR3CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716185-B1 Titanocene-based catalyst system STICHTING DUTCH POLYMER INST (NL) 2009-10-21 EP disclosed
US-20080234452-A1 TITANOCENE-BASED CATALYST SYSTEM STICHTING DUTCH POLYMER INSTITUTE (NL) 2008-09-25 US disclosed
US-20070179049-A1 Titanocenen-based catalyst system STICHTING DUTCH POLYMER INSTITUTE (NL) 2007-08-02 US disclosed
EP-1716185-A1 TITANOCENE-BASED CATALYST SYSTEM Stichting Dutch Polymer Institute (NL) 2006-11-02 EP disclosed
WO-2005077989-A1 TITANOCENEN-BASED CATALYST SYSTEM STICHTING DUTCH POLYMER INSTITUTE (NL) 2005-08-25 WO disclosed
EP-1564226-A1 Titanocene-based catalyst system Stichting Dutch Polymer Institute (NL) 2005-08-17 EP disclosed