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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129900 | 0.91 | LMNA (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9128119 | 0.89 | LMNA (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9215334 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9132567 | 0.83 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9475471 | 0.82 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| Bispyribac SCHEMBL116404 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL9685423 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| Bispyribac SCHEMBL28123615 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| Bispyribac SCHEMBL2114790 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| Bispyribac SCHEMBL9195412 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5424275-A | A 2-(pyrimidine-6yloxy or -6ylthio)-6-phenylbenzoic acids or a 2-dialkylaminooxycarbonyl-3-phenyl phenylthio or phenyloxy-pyrimidines antigrowth agents | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-06-13 | — | — | US | disclosed |
| EP-0593252-A1 | 2-substituted 6-phenyl-benzoic acid derivatives, their preparation and their use as herbicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-04-20 | — | — | EP | disclosed |