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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 20/20 | 0.75 |
| ▸ | CYSLTR2 | Q9NS75 | 20/20 | 0.75 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | FPR1 | P21462 | 1/20 | 0.54 |
| ▸ | GPR183 | P32249 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8123804 | 1.00 | CYSLTR2 (0.75) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL9250136 | 0.85 | CYSLTR2 (0.88) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL8127534 | 0.85 | CYSLTR2 (0.88) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL8127536 | 0.85 | CYSLTR2 (0.88) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL9238282 | 0.82 | CYSLTR2 (0.72) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL9238277 | 0.82 | CYSLTR2 (0.72) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL8123334 | 0.80 | CYSLTR2 (0.55) | CYSLTR2CYSLTR1 | |
| SCHEMBL8126629 | 0.79 | CYSLTR2 (0.77) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL8123269 | 0.79 | CYSLTR2 (0.77) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 | |
| SCHEMBL8123270 | 0.79 | CYSLTR2 (0.77) | CYSLTR2CYSLTR1CYP2C8CYP2C9FPR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0604114-B1 | Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 2000-05-03 | — | — | EP | disclosed |
| US-5472964-A | Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1995-12-05 | — | — | US | disclosed |
| WO-1994014815-A1 | DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1994-07-07 | — | — | WO | disclosed |
| EP-0604114-A1 | Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1994-06-29 | — | — | EP | disclosed |