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 known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Cetylpyridinium SCHEMBL667616 | 0.96 | CHRM2 (0.54) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL28035036 | 0.94 | CHRM2 (0.57) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL2369770 | 0.85 | MAPT (0.43) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL666197 | 0.84 | KDM4E (0.49) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Thiosalicylic Acid SCHEMBL31129192 | 0.82 | CHRM2 (0.53) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL9133831 | 0.82 | CA12 (0.48) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL9132492 | 0.82 | CHRM2 (0.47) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Dodecane SCHEMBL6692297 | 0.81 | ALDH1A1 (0.69) | SMN1; SMN2KMT2AMEN1LMNATSHR | |
| Salicylic Acid SCHEMBL28366261 | 0.81 | ALDH1A1 (0.69) | SMN1; SMN2KMT2AMEN1LMNATSHR | |
| Hexadecane SCHEMBL28225619 | 0.81 | ALDH1A1 (0.69) | SMN1; SMN2KMT2AMEN1LMNATSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9278134-B2 | Dual functioning ionic liquids and salts thereof | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2016-03-08 | — | — | US | disclosed |
| US-20130203602-A1 | SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS | DANMARKS TEKNISKE UNIVERSITET (DK) | 2013-08-08 | — | — | US | disclosed |
| EP-2544664-A1 | SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS | Danmarks Tekniske Universitet (DK) | 2013-01-16 | — | — | EP | disclosed |
| US-20120046244-A1 | DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2011110662-A1 | SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS | DANMARKS TEKNISKE UNIVERSITET (DK) | 2011-09-15 | — | — | WO | disclosed |
| WO-2010078300-A1 | DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2010-07-08 | — | — | WO | 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-20130203602-A1 | SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS | MIF, BMP2, BMP4 | ACHE 817/4885CHRM2 3329/4885ADRA2A 3611/4885 |
| US-20120046244-A1 | DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF | SLC6A6, SLC10A2, CLK2 | ACHE 224/4885CHRM2 1056/4885ADRA2A 4314/4885 |
“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.