Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7198463

CCCCCC1=Cc2ccccc2C1[Zr+2]C1C(CCCCC)=Cc2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.37

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
SLC6A2 known ✓ P23975 1/20 0.32
ACHE known ✓ P22303 1/20 0.32
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTPN1 P18031 1/20 0.32
BCHE P06276 1/20 0.32
KCNH2 Q12809 3/20 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 SCHEMBL7200911 0.98 CYP2D6 (0.39) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7200980 0.98 CYP2D6 (0.39) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7194666 0.95 CYP3A4 (0.33) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL458069 0.89 CYP11B1 (0.32)
Hydrochloric Acid SCHEMBL29902206 0.84 CNR2 (0.34) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL27182241 0.82 CYP3A4 (0.31) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL2519660 0.82 CYP11B1 (0.33)
Hydrochloric Acid SCHEMBL29612292 0.82 CYP11B1 (0.33)
Bromide SCHEMBL29902198 0.81 CNR2 (0.34) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Fluoride Ion SCHEMBL29902176 0.81 CNR2 (0.34) CYP2D6CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776909-B1 HIGH DENSITY ETHYLENE POLYMER AND METHOD FOR PRODUCING THE SAME ASAHI CHEMICAL IND (JP) 2003-11-19 EP disclosed
US-5973083-A HIGH IMPACT RESISTANCE AND HIGH STIFFNESS, EXCELLENT MOLDABILITY, HIGH MELT FLOWABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-10-26 US disclosed
EP-0776909-A1 HIGH-DENSITY ETHYLENIC POLYMER AND PROCESS FOR PRODUCING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-06-04 EP disclosed