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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 6/20 | 0.62 |
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 7/20 | 0.55 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.55 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.55 |
| ▸ | CYSLTR2 | Q9NS75 | 7/20 | 0.55 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9018916 | 0.89 | ALOX5 (0.67) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL10411470 | 0.88 | ALOX5 (0.66) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL10410383 | 0.88 | CYSLTR2 (0.62) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL10410457 | 0.88 | ALOX5 (0.62) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL9498315 | 0.86 | ALOX5 (0.63) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL8715482 | 0.85 | CYSLTR2 (0.60) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL10410421 | 0.85 | ALOX5 (0.61) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL9499746 | 0.84 | CYSLTR2 (0.59) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL8666312 | 0.83 | CYSLTR1 (0.72) | ALOX5CYSLTR2CYSLTR1GPBAR1MAPK1 | |
| SCHEMBL8646511 | 0.83 | CYSLTR2 (0.63) | ALOX5CYSLTR2CYSLTR1GPBAR1PDE10A |
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-4929626-A | α-substituted 4-(quinolin-2-yl-methoxy)phenylacetic acids and esters and lipoxygenase inhibition therewith | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |