Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6906419

C1=CC([Ti+2](=C(c2ccccc2)c2ccccc2)C2C=Cc3ccccc32)c2ccccc21.[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 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
SIGMAR1 Q99720 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL6903918 0.88 ATM (0.30) ATM
Hydrochloric Acid SCHEMBL7914795 0.83 MEN1 (0.34) ATMMEN1KMT2AHTR6HTR2A
Hydrochloric Acid SCHEMBL714328 0.79 HTR2A (0.33) MEN1KMT2AHTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL30630878 0.75 HTR2A (0.39) MEN1KMT2AHTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL6905921 0.73
Hydrochloric Acid SCHEMBL7769222 0.72 HTR2A (0.36) MEN1KMT2AHTR6HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL2538854 0.72 HTR2A (0.36) HTR6HTR2ASIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL713786 0.71 POLB (0.33)
Hydrochloric Acid SCHEMBL5854045 0.69 LMNA (0.35) ATMMEN1KMT2ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL4470950 0.69 HTR2A (0.35) HTR6HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed
US-6207774-B1 COPOLYMERIZATION OF ETHYLENE WITH AN .ALPHA.-OLEFIN HAVING THREE OR MORE CARBONS BY USE OF AN OLEFIN POLYMERIZATION CATALYST CONTAINING A METALLOCENE COMPOUND, AN IONIZING IONIC COMPOUD, AND AN ORGANOALUMINUM COMPOUNDTHE METALLO TOSOH CORPORATION (JP) 2001-03-27 US disclosed
US-5817590-A METALLOCENE, IONIZING IONIC COMPOUND, ORGANOALUMINUM COMPOUND, LEWIS BASE TOSOH CORPORATION (JP) 1998-10-06 US disclosed
EP-0612769-B1 Process for producing ethylene alpha-olefin copolymer TOSOH CORP (JP) 1997-11-12 EP disclosed
EP-0648786-B1 Process for producing alpha-olefin polymer TOSOH CORP (JP) 1997-07-16 EP disclosed
US-5576259-A POLYMERIZATION CATALYST INCLUDING METALLOCENE COMPOUND, IONIC COMPOUND, ORGANOALUMINUM COMPOUND, AND LEWIS BASE TOSOH CORPORATION (JP) 1996-11-19 US disclosed
EP-0653445-A1 Ethylene/alpha-olefin copolymer Tosoh Corporation (JP) 1995-05-17 EP disclosed
EP-0648786-A1 Process for producing alpha-olefin polymer Tosoh Corporation (JP) 1995-04-19 EP disclosed
EP-0612769-A1 Process for producing ethylene alpha-olefin copolymer TOSOH CORPORATION (JP) 1994-08-31 EP disclosed