Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5083574

C1=CCC([Zr+2](=C(Cc2cccc3ccccc23)Cc2cccc3ccccc23)c2cccc3c2Cc2ccccc2-3)=C1.[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 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KB1 P23443 1/20 0.30
TYK2 P29597 1/20 0.30
PRKX P51817 1/20 0.30
NEK4 P51957 1/20 0.30
MAP4K2 Q12851 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 SCHEMBL813258 0.85 PNMT (0.34) PNMTDRD2DRD4DRD3NPC1
Bromide SCHEMBL5079501 0.83 PNMT (0.34) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL5081146 0.82 MEN1 (0.35) CYP2D6
Hydrochloric Acid SCHEMBL819427 0.81 PNMT (0.34) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL2804145 0.81 PNMT (0.34) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL216652 0.80 NPC1 (0.40) PNMTALDH1A1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5080416 0.80 PNMT (0.33) PNMTALDH1A1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5079587 0.80 PNMT (0.30) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL5080400 0.80 PNMT (0.32) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL819607 0.79 PNMT (0.36) PNMTDRD2DRD4DRD3NPC1

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
US-7393965-B2 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2006-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same PCNA, MACF1, PIN1 PNMT 153/4885ALDH1A1 2154/4885SMN1; SMN2 1441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.