Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7546013

COc1cccc2c1-c1ccccc1C2[Zr+2]1(C2=C(C)C(C)=CC2)CC1.[Cl-].[Cl-]

nearest known ligand 0.36

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 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
POLL Q9UGP5 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HTR2C P28335 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR7 P34969 2/20 0.30
ADRB2 P07550 1/20 0.30
TOP1 P11387 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30

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 SCHEMBL7545970 0.84 GPR3 (0.33)
Hydrochloric Acid SCHEMBL7553157 0.82 NR3C1 (0.36) NR3C1POLLHTR1ADRD2APAF1
Hydrochloric Acid SCHEMBL7549910 0.81 NR3C1 (0.34) NR3C1POLLHTR1ADRD2
Hydrochloric Acid SCHEMBL7552358 0.77 NR3C1 (0.38) NR3C1POLLHTR1ADRD2ALDH1A1
Hydrochloric Acid SCHEMBL7553569 0.72 NR3C1 (0.38) NR3C1POLLAPAF1MITFALDH1A1
Hydrochloric Acid SCHEMBL2866754 0.69 GPR3 (0.30)
SCHEMBL7873111 0.67 NR3C1 (0.55) NR3C1POLLAPAF1MITFALDH1A1
Hydrochloric Acid SCHEMBL8673075 0.66 NR3C1 (0.36) NR3C1POLLHTR1ADRD2HTR2C
Hydrochloric Acid SCHEMBL7549032 0.65
Hydrochloric Acid SCHEMBL7196666 0.64 NR3C1 (0.49) NR3C1POLLAPAF1MITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841349-B1 Catalyst for alpha-olefin polymerization and production of poly-alpha-olefin therewith MITSUI CHEMICALS INC (JP) 2002-06-12 EP disclosed
US-6121394-A Metallocene-catalyzed olefin polymerization in the absence of aluminoxane MITSUI CHEMICALS, INC. (JP) 2000-09-19 US disclosed
EP-0500944-B1 CATALYST FOR ALPHA-OLEFIN POLYMERIZATION AND PRODUCTION OF POLY-ALPHA-OLEFIN THEREWITH MITSUI CHEMICALS INC (JP) 1998-10-07 EP disclosed
EP-0841349-A2 Catalyst for alpha-olefin polymerization and production of poly-alpha-olefin therewith MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed
EP-0500944-A1 CATALYST FOR $g(a)-OLEFIN POLYMERIZATION AND PRODUCTION OF POLY-$g(a)-OLEFIN THEREWITH MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-02 EP disclosed