Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8459099

CC1=C(C)C(C)(C)C([Zr+2]c2[nH]c3ccccc3c2C(C)(C)C)=C1C.[Cl-].[Cl-]

nearest known ligand 0.33

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
KIF11 P52732 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOA P21397 1/20 0.32
APEX1 P27695 1/20 0.32
GABRB3 P28472 1/20 0.32
MAPK1 P28482 1/20 0.32

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 SCHEMBL9010181 0.85 KIF11 (0.30) KIF11
Hydrochloric Acid SCHEMBL8463225 0.84 AHR (0.41) KIF11CYP1A2CYP3A4KDM4EMEN1
Hydrochloric Acid SCHEMBL8461721 0.81 KIF11 (0.31) KIF11
Hydrochloric Acid SCHEMBL8463616 0.73 KIF11 (0.33) KIF11CYP1A2CYP3A4KDM4EMEN1
Hydrochloric Acid SCHEMBL8459875 0.71
Hydrochloric Acid SCHEMBL9010054 0.70
Hydrochloric Acid SCHEMBL8461929 0.70 KIF11 (0.32) KIF11
Hydrochloric Acid SCHEMBL8460373 0.69
Hydrochloric Acid SCHEMBL9010301 0.69
Hydrochloric Acid SCHEMBL8463250 0.68 KIF11 (0.37) KIF11CYP1A2CYP3A4KDM4EMEN1

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