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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 known ✓ | P04049 | 16/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4169623 | 0.97 | RAF1 (0.44) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL19687669 | 0.84 | RAF1 (0.42) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL101455 | 0.79 | RAF1 (0.42) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL667203 | 0.79 | RAF1 (0.61) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL4781956 | 0.79 | RAF1 (0.42) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL14434334 | 0.79 | RAF1 (0.45) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL21411380 | 0.78 | KDM4E (0.46) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL4164656 | 0.76 | RAF1 (0.41) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL13348132 | 0.76 | HSD17B10 (0.54) | KDM4E | |
| SCHEMBL4174770 | 0.75 | RAF1 (0.41) | RAF1MAPK14MAPK13MAPK12MAPK11 |
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-1987042-A2 | NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | sanofi-aventis (FR) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093365-A2 | NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | SANOFI-AVENTIS (DE) | 2007-08-23 | — | — | WO | disclosed |