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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 13/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | PPOX | P50336 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.51 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL27878046 | 0.97 | MRGPRX4 (0.53) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL30278570 | 0.87 | MRGPRX4 (0.69) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL3791436 | 0.87 | MRGPRX4 (0.69) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL8015966 | 0.87 | MRGPRX4 (0.54) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL10613595 | 0.86 | MAOB (0.55) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL8011544 | 0.86 | MRGPRX4 (0.65) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL11113346 | 0.85 | MRGPRX4 (0.53) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL11114346 | 0.84 | MRGPRX4 (0.52) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL10673556 | 0.84 | MRGPRX4 (0.67) | MRGPRX4MEN1TTRPPOXKMT2A | |
| SCHEMBL10499547 | 0.84 | FFAR1 (0.56) | MRGPRX4MEN1TTRPPOXKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1000010-B1 | NITRATION PROCESS FOR DIPHENYL ETHERS | SYNGENTA LTD (GB) | 2002-09-25 | — | — | EP | disclosed |
| EP-1000010-A1 | NITRATION PROCESS FOR DIPHENYL ETHERS | ZENECA LIMITED (GB) | 2000-05-17 | — | — | EP | disclosed |
| US-6028219-A | NITRATING WITH A MIXTURE OF NITRIC AND SULPHURIC ACIDS IN THE PRESENCE OF A SOLVENT TETRACHLOROETHYLENE AND IN THE PRESENCE OF ACETIC ANHYDRIDE; CHEMICAL INTERMEDIATES IN THE SYNTHESIS OF HERBICIDES | ZENECA LIMITED (GB) | 2000-02-22 | — | — | US | disclosed |
| WO-1999005087-A1 | NITRATION PROCESS FOR DIPHENYL ETHERS | ZENECA LIMITED (GB) | 1999-02-04 | — | — | WO | disclosed |