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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 4/20 | 0.54 |
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 6/20 | 0.53 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.62 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.56 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890687 | 0.89 | GPBAR1 (0.68) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL8554930 | 0.87 | GPBAR1 (0.62) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL8555090 | 0.86 | GPBAR1 (0.61) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL9581625 | 0.82 | GPBAR1 (0.76) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL3271439 | 0.79 | CYSLTR1 (0.76) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL3271764 | 0.79 | GPBAR1 (0.78) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL7599570 | 0.78 | GPBAR1 (0.82) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL421067 | 0.77 | GPBAR1 (1.00) | GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1 | |
| SCHEMBL9043601 | 0.77 | GPBAR1 (0.70) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 | |
| SCHEMBL13036699 | 0.77 | GPBAR1 (0.74) | GPBAR1PDE10AALOX5CYSLTR1CYSLTR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997012866-A1 | BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1997-04-10 | — | — | WO | disclosed |