Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 2/20 | 0.62 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.62 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858608 | 0.97 | PRKCA (0.62) | PRKCAPRKCDSERPINE1NR1I2CA1 | |
| SCHEMBL6292960 | 0.91 | PRKCA (0.49) | PRKCAPRKCDSERPINE1CA1CA2 | |
| SCHEMBL6291913 | 0.91 | PRKCA (0.59) | PRKCAPRKCDNR1I2ESR1 | |
| SCHEMBL6856593 | 0.88 | PRKCA (0.49) | PRKCAPRKCDSERPINE1CA1CA2 | |
| SCHEMBL6855985 | 0.88 | PRKCA (0.59) | PRKCAPRKCDNR1I2ESR1 | |
| SCHEMBL6291923 | 0.84 | PRKCA (0.43) | PRKCAPRKCDNR1I2CA1CA2 | |
| SCHEMBL6858610 | 0.84 | PRKCA (0.63) | PRKCAPRKCDSERPINE1CA1CA2 | |
| SCHEMBL6293179 | 0.84 | PRKCA (0.63) | PRKCAPRKCDSERPINE1CA1CA2 | |
| SCHEMBL6856281 | 0.82 | PRKCA (0.43) | PRKCAPRKCDNR1I2CA1CA2 | |
| SCHEMBL6293031 | 0.80 | PRKCA (0.45) | PRKCAPRKCDNR1I2CA1CA2 |
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-6977129-B2 | Charge control agent, toner using same developer containing the toner and developing device containing the developer | RICOH COMPANY, LTD. (JP) | 2005-12-20 | — | — | US | disclosed |
| US-20030162018-A1 | Charge control agent, toner using same developer containing the toner and developing device containing the developer | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 2003-08-28 | — | — | US | disclosed |