Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8461920

CC1=C(C)C2([Ti+2]c3[nH]c4ccccc4c3C)C(=C1C)CC2C.[Cl-].[Cl-]

nearest known ligand 0.36

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
AHR P35869 1/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 2/20 0.31
TNKS2 Q9H2K2 1/20 0.31
KIF11 P52732 1/20 0.31
PARP1 P09874 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 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 SCHEMBL8461853 0.85
Hydrochloric Acid SCHEMBL8463132 0.74
Hydrochloric Acid SCHEMBL8461929 0.64 KIF11 (0.32) KIF11
Hydrochloric Acid SCHEMBL8459863 0.62 BRD4 (0.33) BRD4CREBBPNR3C1
Hydrochloric Acid SCHEMBL9010040 0.62 AHR (0.38) AHROPRM1OPRL1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8463433 0.61
SCHEMBL7897739 0.61 AHR (0.61) AHRCYP11B1CYP11B2DAODDO
SCHEMBL7195762 0.58 AHR (0.70) AHRCYP11B1CYP11B2DAODDO
Hydrochloric Acid SCHEMBL8459498 0.58 AHR (0.43) AHROPRM1OPRL1CYP11B1CYP11B2
SCHEMBL4741007 0.57 AHR (0.61) AHRCYP11B1CYP11B2DAODDO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741145-B1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed