Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetalkonium. 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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.87 |
| ▸ | MEN1 | O00255 | 3/20 | 0.84 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.84 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.84 |
| ▸ | TP53 | P04637 | 1/20 | 0.84 |
| ▸ | HTT | P42858 | 4/20 | 0.81 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
| ▸ | RAD52 | P43351 | 1/20 | 0.59 |
| ▸ | MLNR | O43193 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| Benzododecinium SCHEMBL28637937 | 1.00 | DNM1 (0.87) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL28013497 | 0.95 | DNM1 (0.84) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL8164470 | 0.94 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL28637938 | 0.94 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL27726096 | 0.94 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cetalkonium SCHEMBL8168586 | 0.94 | DNM1 (0.81) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL28151919 | 0.93 | KMT2A (0.96) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL25240887 | 0.93 | DNM1 (1.00) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL8386100 | 0.93 | DNM1 (1.00) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL8385144 | 0.93 | DNM1 (1.00) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137923-A | Lipophilic quaternary ammonium salicylates, their use in cosmetics and in dermopharmacy | L'OREAL (FR) | 1992-08-11 | — | — | US | disclosed |
| US-5019567-A | Benzoyl peroxide--quaternary ammonium lipophilic salicylate based pharmaceutical and cosmetic compositions and their use especially in treatment of acne | L'OREAL (FR) | 1991-05-28 | — | — | US | disclosed |
| US-5001156-A | Lipophilic quaternary ammonium salicylates, their use in cosmetics and in dermopharmacy | L'OREAL (FR) | 1991-03-19 | — | — | US | disclosed |
| US-4857525-A | Quaternary ammonium retinoates, their use in cosmetics and in dermopharmacy | L'OREAL (FR) | 1989-08-15 | — | — | US | disclosed |