Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6554723

COc1cccc2c1C=CC2[Zr+2]1(C2C=Cc3c(OC)cccc32)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
ACHE known ✓ P22303 1/20 0.33
HTR2C P28335 3/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 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
SCHEMBL17014301 0.76 CA1 (0.39) HTR2CACHEHTR1AHTR1DHTR7
Hydrochloric Acid SCHEMBL6553929 0.73 PTGS2 (0.31) HTR1AHTR7
Hydrochloric Acid SCHEMBL6553477 0.71 KDM4E (0.31) HTR1AHTR7KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15617597 0.68 KDM4E (0.37) HTR2CKMT2AKDM4EGAACYP3A4
SCHEMBL8865571 0.68 SLC6A2 (0.42) HTR2CHTR1AMEN1USP2KMT2A
SCHEMBL16470960 0.66 MEN1 (0.39) HTR2CACHEHTR1AHTR1DHTR7
SCHEMBL16144149 0.65 KDM4E (0.37) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL31042717 0.64 KDM4E (0.39) HTR1AMEN1KMT2AKDM4ECYP3A4
SCHEMBL3202789 0.63 POLB (0.41) HTR2CACHEKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6356342 0.61 ADRA1A (0.35) HTR2CACHE

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