Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.52 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 9/20 | 0.47 |
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27493950 | 0.98 | DNM1 (0.54) | DNM1APAF1HSP90AA1RAD52CA1 | |
| Cetrimonium SCHEMBL9320434 | 0.97 | DNM1 (0.55) | DNM1APAF1HSP90AA1RAD52CA1 | |
| Choline SCHEMBL28576036 | 0.88 | CA1 (0.46) | DNM1CA1CA2CA9CA12 | |
| SCHEMBL8436911 | 0.88 | DNM1 (0.55) | DNM1CA1CA2CA9CA12 | |
| SCHEMBL8884394 | 0.88 | DNM1 (0.55) | DNM1CA1CA2CA9CA12 | |
| Tetramethylammonium Ion SCHEMBL589211 | 0.87 | CA1 (0.55) | RAD52CA1CA2CA9CA12 | |
| Tetramethylammonium Ion SCHEMBL27493542 | 0.87 | CA1 (0.55) | RAD52CA1CA2CA9CA12 | |
| Octadecyl Sulfate SCHEMBL31243230 | 0.87 | CA1 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL88035 | 0.87 | CA1 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL31243228 | 0.87 | CA1 (0.59) | CA1CA2CA9CA12CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340714-A | Quantitative analysis | MONITOR DIAGNOSTICS, INC. (US) | 1994-08-23 | — | — | US | disclosed |
| WO-1993023756-A9 | USE OF NONMETALLIC TETRAPYRROLE MOLECULES AND NOVEL SIGNAL SOLUTIONS IN CHEMILUMINESCENT REACTIONS AND ASSAYS | — | 1994-01-20 | — | — | WO | disclosed |
| WO-1993023756-A1 | USE OF NONMETALLIC TETRAPYRROLE MOLECULES AND NOVEL SIGNAL SOLUTIONS IN CHEMILUMINESCENT REACTIONS AND ASSAYS | MONITOR DIAGNOSTICS, INC. (US) | 1993-11-25 | — | — | WO | disclosed |