Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3BCHECHRM1CHRM2CHRM3CHRM4CHRNA3CHRNA4CHRNB2CHRNB4ESR1ESR2GABRA1GABRB1GABRG2GBA1GHSRHRH1HTR1DHTR2AMAOBOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8UGCGrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Cadaverine Tartrate SCHEMBL8437267 | 1.00 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 | |
| Cadaverine Tartrate SCHEMBL8435538 | 1.00 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 | |
| Cetrimonium SCHEMBL5533047 | 0.95 | DNM1 (0.52) | DNM1APAF1HSP90AA1RAD52CA2 | |
| Cadaverine Tartrate SCHEMBL8437270 | 0.95 | DNM1 (0.52) | DNM1APAF1HSP90AA1RAD52CA2 | |
| Cadaverine Tartrate SCHEMBL8435543 | 0.95 | DNM1 (0.52) | DNM1APAF1HSP90AA1RAD52CA2 | |
| Hexamethonium SCHEMBL2822866 | 0.92 | MEN1 (0.50) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| L-Lactic Acid SCHEMBL5570547 | 0.89 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 | |
| L-Lactic Acid SCHEMBL9632141 | 0.89 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 | |
| L-Lactic Acid SCHEMBL5574391 | 0.89 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 | |
| L-Lactic Acid SCHEMBL5570478 | 0.89 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0987776-B1 | Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them | CANON KK (JP) | 2007-08-22 | — | — | EP | disclosed |
| US-6558847-B1 | Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them | CANON KABUSHIKI KAISHA (JP) | 2003-05-06 | — | — | US | disclosed |
| EP-0987776-A1 | Metal oxide of porous structure, electrode structure, secondary battery, and methods for producing them | CANON KABUSHIKI KAISHA (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-5933693-A | Electroconductive elastic member and electrophotographic apparatus using same | BRIDGESTONE CORPORATION (JP) | 1999-08-03 | — | — | US | disclosed |