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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.37 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.36 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5134293 | 0.84 | KIF11 (0.45) | KIF11MAPK8FFAR4SCN9APTGS2 | |
| SCHEMBL5123243 | 0.71 | CASP3 (0.36) | KIF11MAPK8PTGS2PTGS1ERCC5 | |
| SCHEMBL5052822 | 0.69 | CASP3 (0.41) | KIF11SCN9A | |
| SCHEMBL14605699 | 0.69 | KIF11 (0.41) | KIF11MAPK8SCN9APTGS2ERCC5 | |
| SCHEMBL14033481 | 0.67 | EPHX2 (0.37) | KIF11MAPK8FFAR4SCN9AERCC5 | |
| SCHEMBL14875137 | 0.66 | FFAR4 (0.49) | KIF11FFAR4PTGS2PTGS1TP53 | |
| SCHEMBL5123239 | 0.66 | CASP3 (0.36) | KIF11MAPK8FFAR4SCN9AERCC5 | |
| SCHEMBL28913958 | 0.64 | KIF11 (0.69) | KIF11FFAR4TP53RORC | |
| SCHEMBL26530281 | 0.64 | SCN3A (0.71) | SCN9ASCN3A | |
| SCHEMBL27183109 | 0.63 | SLC22A12 (0.59) | KIF11FFAR4 |
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-1940767-A2 | PPARACTIVE COMPOUNDS | PLEXXIKON, INC. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007030567-A2 | PPARACTIVE COMPOUNDS | PLEXXIKON, INC. (US) | 2007-03-15 | — | — | WO | disclosed |