Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7201110

COc1ccc2c(c1)C([Zr+2])c1cc(OC)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.46

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
CYP1A2 P05177 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46
CYP2A6 P11509 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44

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 SCHEMBL7201366 0.91 GPR3 (0.45) CYP1A2MEN1MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL7198761 0.89 CA12 (0.46) CYP1A2MEN1MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL27745820 0.78 CYP1A1 (0.45) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL8896192 0.77 MEN1 (0.52) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL11384034 0.75 CYP1A2 (0.46) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL30818407 0.69 GPR3 (0.46) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL9449351 0.69 HRH3 (0.51) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL1134724 0.69 ALDH1A1 (0.64) CYP1A2MEN1MAPTKMT2ACYP3A4
SCHEMBL346790 0.69 ALDH1A1 (0.64) CYP1A2MEN1MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL8644114 0.68 MEN1 (0.43) CYP1A2MEN1MAPTKMT2ACYP3A4

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-0942006-B1 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORP (JP) 2003-06-04 EP disclosed