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 | |
|---|---|---|---|---|
| ▸ | ALOX5AP known ✓ | P20292 | 18/20 | 0.78 |
| ▸ | ALOX5 known ✓ | P09917 | 4/20 | 0.78 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.73 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL2108321 | 0.93 | PTGS1 (0.85) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL9252681 | 0.92 | PTGS1 (0.84) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL9252706 | 0.92 | PTGS1 (0.84) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL8559127 | 0.91 | PTGS1 (0.75) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| Quiflapon SCHEMBL1229503 | 0.88 | ALOX5AP (1.00) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL2107929 | 0.87 | PTGS1 (0.82) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL2107877 | 0.86 | PTGS1 (0.86) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL2108907 | 0.85 | PTGS1 (0.87) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL2109203 | 0.85 | PTGS1 (0.85) | ALOX5APALOX5PTGS1PTGS2CYP3A4 | |
| SCHEMBL2107740 | 0.85 | PTGS1 (0.85) | ALOX5APALOX5PTGS1PTGS2CYP3A4 |
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-5380850-A | Quinoline hydrazine intermediates | MERCK FROSST CANADA, INC. (CA) | 1995-01-10 | — | — | US | disclosed |