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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 known ✓ | P45452 | 2/20 | 0.36 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 5/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6295996 | 0.99 | ALDH1A1 (0.46) | ALDH1A1NR1I2FAAHPRKCAPRKCD | |
| SCHEMBL6856384 | 0.97 | ALDH1A1 (0.48) | ALDH1A1NR1I2FAAHPRKCAPRKCD | |
| SCHEMBL6850436 | 0.96 | ALDH1A1 (0.46) | ALDH1A1NR1I2FAAHPRKCAPRKCD | |
| SCHEMBL6293031 | 0.95 | PRKCA (0.45) | ALDH1A1NR1I2FAAHPRKCAPRKCD | |
| SCHEMBL6855748 | 0.92 | PRKCA (0.45) | ALDH1A1NR1I2FAAHPRKCAPRKCD | |
| SCHEMBL6291923 | 0.89 | PRKCA (0.43) | ALDH1A1NR1I2PRKCAPRKCDKMT2A | |
| SCHEMBL6856281 | 0.87 | PRKCA (0.43) | ALDH1A1NR1I2PRKCAPRKCDKMT2A | |
| SCHEMBL6296115 | 0.86 | ALDH1A1 (0.49) | ALDH1A1FAAHPRKCAPRKCDCNR1 | |
| SCHEMBL6856387 | 0.86 | ALDH1A1 (0.49) | ALDH1A1FAAHPRKCAPRKCDCNR1 | |
| SCHEMBL6291913 | 0.85 | PRKCA (0.59) | NR1I2PRKCAPRKCDMMP9MMP13 |
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 |