Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6553946

CC1=Cc2c(ccc3ccccc23)C1[Zr+2]1(C2C(C)=Cc3c2ccc2ccccc32)C(C)C1C.[Cl-].[Cl-]

nearest known ligand 0.38

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
ACHE known ✓ P22303 1/20 0.31
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.35
CYP2A6 P11509 4/20 0.35
CYP1A2 P05177 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 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 SCHEMBL6554982 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL6554859 0.86 HTR7 (0.33) KDM4EALDH1A1CYP2A6HSD17B10HPGD
Hydrochloric Acid SCHEMBL6892837 0.84 KDM4E (0.36) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL388936 0.82 KDM4E (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL7933297 0.81 MEN1 (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL5068152 0.79 KDM4E (0.36) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL8635888 0.79 KDM4E (0.34) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL673327 0.79 KDM4E (0.36) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Fluoride Ion SCHEMBL7641950 0.79 KDM4E (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL8633679 0.78 KDM4E (0.33) KDM4EALDH1A1CYP2A6CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed