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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL331099 | 1.00 | DNM1 (0.50) | DNM1NR1I2APAF1HSP90AA1RAD52 | |
| SCHEMBL331150 | 1.00 | DNM1 (0.50) | DNM1NR1I2APAF1HSP90AA1RAD52 | |
| SCHEMBL331265 | 0.92 | NR1I2 (0.47) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL330562 | 0.92 | NR1I2 (0.47) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL330793 | 0.92 | NR1I2 (0.47) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL331992 | 0.92 | DNM1 (0.54) | DNM1NR1I2MEN1KMT2ATP53 | |
| Didecyldimethylammonium SCHEMBL330721 | 0.92 | DNM1 (0.54) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL330813 | 0.92 | NR1I2 (0.47) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL330955 | 0.92 | HTT (0.53) | DNM1NR1I2MEN1KMT2ATP53 | |
| SCHEMBL330869 | 0.92 | HTT (0.53) | DNM1NR1I2MEN1KMT2ATP53 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107814380-B | Utilize the method for shear thickening system removing preparing graphite alkene | 中南民族大学 | 2019-07-23 | — | — | CN | claimed |
| CN-107814380-A | The method that preparing graphite alkene is peeled off using shear thickening system | 中南民族大学 | 2018-03-20 | — | — | CN | claimed |
| CN-107814380-B | Utilize the method for shear thickening system removing preparing graphite alkene | 中南民族大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-107814380-A | The method that preparing graphite alkene is peeled off using shear thickening system | 中南民族大学 | 2018-03-20 | — | — | CN | disclosed |
| EP-2295484-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2018-01-17 | — | — | EP | disclosed |
| EP-2407498-B1 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC (JP) | 2017-11-15 | — | — | EP | disclosed |
| US-8304507-B2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2012-11-06 | — | — | US | disclosed |
| EP-2407498-A2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | Mitsui Chemicals, Inc. (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-20110112269-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-05-12 | — | — | US | disclosed |
| EP-2295484-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2011-03-16 | — | — | EP | disclosed |