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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL7840110 | 0.87 | BCAT2 (0.40) | BCAT2CA1CA2PTGS2BDKRB1 | |
| SCHEMBL7844137 | 0.86 | BCAT2 (0.44) | BCAT2PTGS2BDKRB1JAK2JAK1 | |
| SCHEMBL7829898 | 0.82 | PTGS2 (0.50) | CA1CA2PTGS2AKR1C2AKR1C1 | |
| SCHEMBL7841948 | 0.73 | BCAT2 (0.44) | BCAT2PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL8388365 | 0.70 | ESR2 (0.44) | BCAT2PTGS2 | |
| SCHEMBL7844135 | 0.69 | PTGS2 (0.57) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL8388530 | 0.69 | ESR2 (0.40) | BCAT2PTGS2 | |
| SCHEMBL5142185 | 0.68 | MAOB (0.51) | CA1CA2PTGS2AKR1C2AKR1C1 | |
| SCHEMBL7880898 | 0.68 | PTGS2 (0.50) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL5142186 | 0.68 | MAOB (0.51) | CA1CA2PTGS2AKR1C2AKR1C1 |
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 7 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 |
| US-5691374-A | ENZYME INHIBITORS OF CYCLOOXYGENASE AS ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1997-11-25 | — | — | US | disclosed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | disclosed |