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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.46 |
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 7/20 | 0.46 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.45 |
| ▸ | ALOX5AP known ✓ | P20292 | 6/20 | 0.44 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.44 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 7/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599889 | 0.93 | CYSLTR2 (0.49) | CYSLTR2CYSLTR1ALOX5APPPARGGPBAR1 | |
| SCHEMBL7594815 | 0.90 | CYSLTR2 (0.49) | PDE4APDE4BPDE10ACYSLTR2CYSLTR1 | |
| SCHEMBL7599144 | 0.89 | CYSLTR2 (0.49) | PDE4APDE4BPDE10ACYSLTR2CYSLTR1 | |
| SCHEMBL7599131 | 0.89 | CYSLTR2 (0.49) | PDE4APDE4BPDE10ACYSLTR2CYSLTR1 | |
| SCHEMBL3048635 | 0.85 | GPBAR1 (0.56) | PDE10ACYSLTR2CYSLTR1ALOX5ALOX5AP | |
| SCHEMBL7595255 | 0.83 | GPBAR1 (0.56) | PDE10ACYSLTR2CYSLTR1ALOX5ALOX5AP | |
| SCHEMBL7599371 | 0.82 | CYSLTR2 (0.56) | CYSLTR2CYSLTR1ALOX5APGPBAR1FFAR1 | |
| SCHEMBL7599896 | 0.82 | CYSLTR2 (0.55) | CYSLTR2CYSLTR1ALOX5APGPBAR1FFAR1 | |
| SCHEMBL7599886 | 0.82 | CYSLTR2 (0.55) | CYSLTR2CYSLTR1ALOX5APGPBAR1FFAR1 | |
| SCHEMBL8451436 | 0.82 | FFAR1 (0.53) | CYSLTR2CYSLTR1ALOX5ALOX5APGPBAR1 |
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-0862557-B1 | SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LAB (US) | 2002-11-27 | — | — | EP | disclosed |
| US-5843968-A | Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1998-12-01 | — | — | US | disclosed |
| US-5795900-A | Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1998-08-18 | — | — | US | disclosed |