Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetrimonium. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Cetrimonium SCHEMBL4841411 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL10814962 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL9814393 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL4841282 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL31588848 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL10815854 | 0.99 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Cetrimonium SCHEMBL2165538 | 0.97 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Cetrimonium SCHEMBL3451127 | 0.97 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDNAAADNM1 | |
| Salicylic Acid SCHEMBL8016273 | 0.91 | KDM4E (0.46) | ALDH1A1KDM4EHPGDNAAAGAA | |
| Salicylic Acid SCHEMBL8016266 | 0.91 | KDM4E (0.46) | ALDH1A1KDM4EHPGDNAAAGAA |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820752-B2 | Use of charged amphiphilic statistic polymers for thickening phase comprising giant micelles of surfactants and aqueous composition comprising same | RHODIA CHIMIE (FR) | 2010-10-26 | — | — | US | disclosed |
| US-20050119401-A1 | Use of charged amphiphilic statistic polymers for thickening phase comprising giant micelles of surfactants and aqueous composition comprising same | RHODIA CHIMIE (FR) | 2005-06-02 | — | — | US | disclosed |