Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PDE4B known ✓ | Q07343 | 5/20 | 0.33 |
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.33 |
| ▸ | PDE4C known ✓ | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D known ✓ | Q08499 | 3/20 | 0.33 |
| ▸ | F10 known ✓ | P00742 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8554843 | 0.80 | ITGB3 (0.46) | ITGB3ITGA2BMEN1KMT2A | |
| SCHEMBL8833629 | 0.79 | ITGB3 (0.63) | ITGB3ITGA2BBRD4PDE4BPDE4A | |
| Trifluoroacetic Acid SCHEMBL8553247 | 0.77 | ITGB3 (0.44) | ITGB3ITGA2BPDE4BPDE4APDE4C | |
| SCHEMBL8558208 | 0.77 | ITGB3 (0.45) | ITGB3ITGA2BF10 | |
| SCHEMBL8557508 | 0.70 | ITGB3 (0.76) | ITGB3ITGA2BBRD4PDE4BPDE4A | |
| SCHEMBL8559373 | 0.69 | ITGB3 (0.74) | ITGB3ITGA2BBRD4PDE4BPDE4A | |
| SCHEMBL8553760 | 0.66 | ITGB3 (0.59) | ITGB3ITGA2BF10MAPK14 | |
| SCHEMBL8557659 | 0.59 | ITGB3 (0.76) | ITGB3ITGA2BPDE4BPDE4APDE4C | |
| SCHEMBL13165688 | 0.59 | TDP1 (0.58) | HPGDKDM4EALDH1A1 | |
| SCHEMBL48633 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641770-B1 | NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY | MEIJI SEIKA CO (JP) | 1998-05-13 | — | — | EP | disclosed |
| EP-0641770-A1 | NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1995-03-08 | — | — | EP | disclosed |