Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4633012

CC1=C(C)C([Ti+3])c2ccccc21.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.33
CHRM1 known ✓ P11229 1/20 0.33
ACHE known ✓ P22303 1/20 0.33
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33
GPR3 P46089 2/20 0.35
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 1/20 0.31
POLB P06746 1/20 0.31
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 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 SCHEMBL3385863 0.78 GPR3 (0.46) GPR3CHRM2HTR1AADRA2ACHRM1
SCHEMBL27602853 0.76 GPR3 (0.37) GPR3CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL4062875 0.74 GPR3 (0.35) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL27585043 0.74 GPR3 (0.35) GPR3HTR2APOLBPBRM1TNKS2
Hydrochloric Acid SCHEMBL4079003 0.74 GPR3 (0.35) GPR3HTR2APOLBPBRM1TNKS2
Hydrochloric Acid SCHEMBL4093570 0.74 GPR3 (0.35) GPR3HTR2APOLBPBRM1TNKS2
Hydrochloric Acid SCHEMBL12814694 0.74 KMT2A (0.38) SLC6A2SLC6A4SLC6A3POLB
Bromide SCHEMBL3383748 0.73 GPR3 (0.46) GPR3CHRM2HTR1AADRA2ACHRM1
Iodide SCHEMBL3382484 0.73 GPR3 (0.46) GPR3CHRM2HTR1AADRA2ACHRM1
Fluoride Ion SCHEMBL3384407 0.73 GPR3 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601957-A Polyethylene powder ASAHI KASEI CORP 2016-05-25 CN disclosed
EP-1520862-B1 Butadiene polymer, and process for producing conjugated diene polymer AGENCY IND SCIENCE TECHN (JP) 2008-05-28 EP disclosed
EP-1054026-B1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JP AGENCY OF INDUSTRIALSCIENCE (JP) 2004-12-08 EP disclosed
EP-1054026-A1 BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2000-11-22 EP disclosed