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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP known ✓ | P20292 | 12/20 | 0.49 |
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 4/20 | 0.47 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8920167 | 0.96 | GPBAR1 (0.50) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8920804 | 0.94 | GPBAR1 (0.52) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8923072 | 0.87 | CYSLTR2 (0.53) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8892197 | 0.86 | ALOX5 (0.42) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8921534 | 0.84 | ALOX5AP (0.41) | ALOX5APCYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8925362 | 0.83 | ALOX5AP (0.54) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8900821 | 0.83 | ALOX5AP (0.44) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8900485 | 0.80 | CYSLTR2 (0.62) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8922287 | 0.79 | CYSLTR2 (0.64) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL8925370 | 0.79 | CYSLTR2 (0.63) | ALOX5APGPBAR1CYSLTR2CYSLTR1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5691351-A | Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1997-11-25 | — | — | US | disclosed |