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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 9/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858634 | 0.99 | CA12 (0.33) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6296016 | 0.86 | LCK (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6858635 | 0.86 | LCK (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL17461294 | 0.83 | ESR1 (0.31) | ESR1PRKCAPRKCDAKR1C4AKR1C3 | |
| SCHEMBL4605517 | 0.81 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL14724025 | 0.80 | ESR1 (0.35) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4607327 | 0.78 | ESR1 (0.56) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4605534 | 0.77 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4604592 | 0.77 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4603155 | 0.77 | ESR1 (0.56) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 |
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 |