Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetylpyridinium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.74 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.74 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.74 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.74 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | ESR1 | P03372 | 1/20 | 0.74 |
| ▸ | PGR | P06401 | 1/20 | 0.74 |
| ▸ | HTR1A | P08908 | 1/20 | 0.74 |
| ▸ | DRD1 | P21728 | 1/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.74 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.74 |
| ▸ | PDE4A | P27815 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.74 |
| ▸ | DRD3 | P35462 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL783196 | 1.00 | ACHE (0.74) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Sulfuric Acid SCHEMBL11121738 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Cetylpyridinium SCHEMBL167608 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Sulfuric Acid SCHEMBL165670 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Sulfuric Acid SCHEMBL28100312 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Sulfuric Acid SCHEMBL9784616 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| Sulfuric Acid SCHEMBL9784492 | 0.98 | ACHE (0.77) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL29251688 | 0.93 | ACHE (0.74) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL30212763 | 0.93 | ACHE (0.74) | ACHECHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL29252400 | 0.93 | ACHE (0.74) | ACHECHRM2ADRA2AADORA3CHRM1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351728-B1 | PROCESS FOR PRODUCING AN AROMATIC ALDEHYDE COMPOUND | UBE INDUSTRIES (JP) | 2015-01-07 | — | — | EP | disclosed |
| US-8618335-B2 | Process for preparing aromatic aldehyde compound | UBE INDUSTRIES LTD. (JP) | 2013-12-31 | — | — | US | disclosed |
| US-20120071672-A1 | PROCESS FOR PREPARING AROMATIC ALDEHYDE COMPOUND | UBE CORPORATION (JP) | 2012-03-22 | — | — | US | disclosed |
| EP-2351728-A1 | PROCESS FOR PRODUCING AN AROMATIC ALDEHYDE COMPOUND | Ube Industries, Ltd. (JP) | 2011-08-03 | — | — | EP | disclosed |
| US-7696366-B2 | Production process of bifunctional epoxy monomer by selective oxidation of diolefin compound | SHOWA DENKO K.K. (JP) | 2010-04-13 | — | — | US | disclosed |
| US-7615656-B2 | Cycloaliphatic polyepoxy compounds and preparation thereof | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-11-10 | — | — | US | disclosed |
| EP-1891031-B1 | PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND | SHOWA DENKO KK (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20090030217-A1 | PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND | SHOWA DENKO K.K. (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1891031-A2 | PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND | Showa Denko K.K. (JP) | 2008-02-27 | — | — | EP | disclosed |
| US-20080004425-A1 | Cycloaliphatic polyepoxy compounds and prepartation thereof | DAICEL CHEMICAL INDUSTRIES, LTD. | 2008-01-03 | — | — | US | disclosed |
| EP-1873149-A1 | Cycloaliphatic polyepoxy compounds and preparation thereof | Daicel Chemical Industries, Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006123814-A2 | PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND | SHOWA DENKO K.K. (JP) | 2006-11-23 | — | — | WO | disclosed |
| US-5783710-A | INK JET PRINTING; SPRAYING HOT MELT DROPLETS ON PLASTIC OR FIBER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | disclosed |
| US-5374302-A | Reacting a sulfur dyes with a a-halocarboxylic acid; recording ink | CASSELLA AG (DE) | 1994-12-20 | — | — | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120071672-A1 | PROCESS FOR PREPARING AROMATIC ALDEHYDE COMPOUND | AOX1, ADH5, AOC2 | ACHE 2280/4885CHRM2 1117/4885ADRA2A 3447/4885 |
| US-20090030217-A1 | PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND | DUOX2, DUOX1, DDT | ACHE 2369/4885CHRM2 2456/4885ADRA2A 4443/4885 |
“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.