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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7829901 | 0.87 | BCAT2 (0.40) | BCAT2CA1CA2PTGS2BDKRB1 | |
| SCHEMBL7841948 | 0.86 | BCAT2 (0.44) | BCAT2PTGS2MEN1CYP1A2CYP3A4 | |
| SCHEMBL5142186 | 0.82 | MAOB (0.51) | CA1CA2PTGS2MAOBFLT1 | |
| SCHEMBL5142185 | 0.82 | MAOB (0.51) | CA1CA2PTGS2MAOBFLT1 | |
| SCHEMBL7844137 | 0.73 | BCAT2 (0.44) | BCAT2PTGS2BDKRB1AKR1C3AKR1C2 | |
| SCHEMBL7641541 | 0.69 | AKR1C3 (0.57) | PTGS2MAOBAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7641537 | 0.69 | AKR1C3 (0.57) | PTGS2MAOBAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL13776409 | 0.69 | AKR1C3 (0.57) | PTGS2MAOBAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7829898 | 0.68 | PTGS2 (0.50) | CA1CA2PTGS2AKR1C3AKR1C2 | |
| SCHEMBL30455577 | 0.68 | BCAT2 (0.62) | BCAT2CA1CA2MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828724-B1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-12-05 | — | — | EP | claimed |
| EP-0828724-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-03-18 | — | — | EP | claimed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | claimed |
| EP-0828724-B1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-12-05 | — | — | EP | disclosed |
| EP-0828724-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | disclosed |