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 | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 12/20 | 0.61 |
| ▸ | PPARG known ✓ | P37231 | 4/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 12/20 | 0.61 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | PPARD | Q03181 | 3/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733946 | 0.91 | CYSLTR2 (0.72) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| L-649923 SCHEMBL10923572 | 0.85 | CYSLTR2 (0.84) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL9733385 | 0.83 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL9734207 | 0.83 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL10456745 | 0.82 | CYSLTR2 (0.73) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL10456747 | 0.82 | CYSLTR2 (0.73) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL9780202 | 0.81 | CYSLTR2 (0.76) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL9734006 | 0.80 | CYSLTR2 (0.65) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL11070527 | 0.76 | CYSLTR2 (0.70) | CYSLTR2CYSLTR1PPARGPPARAPPARD | |
| SCHEMBL9733525 | 0.76 | CYSLTR2 (0.50) | CYSLTR2CYSLTR1PPARGPPARAPPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | claimed |
| US-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |