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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A known ✓ | Q9UQD0 | 1/20 | 0.42 |
| ▸ | SCN10A known ✓ | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CCR6 | P51684 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 9/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 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 | |
|---|---|---|---|---|
| SCHEMBL30539397 | 0.91 | TDP1 (0.64) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL8304645 | 0.91 | TDP1 (0.64) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL9863812 | 0.91 | TDP1 (0.64) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL27592434 | 0.90 | TDP1 (0.63) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL11365185 | 0.90 | TDP1 (0.54) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL8306962 | 0.83 | MRGPRX4 (0.53) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL9378425 | 0.82 | TDP1 (0.50) | TDP1MEN1TTRPPOXKMT2A | |
| Potassium Ion SCHEMBL10890394 | 0.82 | HPD (0.47) | TDP1MEN1TTRKMT2AMAPT | |
| SCHEMBL10910166 | 0.81 | MAPT (0.49) | TDP1MEN1TTRPPOXKMT2A | |
| SCHEMBL30077242 | 0.80 | TDP1 (0.45) | TDP1MEN1TTRPPOXKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0080312-B1 | THE PREPARATION OF CERTAIN DIPHENYL ETHERS ESPECIALLY 5-(4-TRIFLUOROMETHYLPHENOXY)- AND 5-(2-HALO-4-TRIFLUOROMETHYLPHENOXY)-2-NITROBENZOIC ACID AND SALTS AND ESTERS AND AMIDES | ROHM AND HAAS COMPANY (US) | 1985-05-29 | — | — | EP | disclosed |
| EP-0080312-A1 | The preparation of certain diphenyl ethers especially 5-(4-trifluoromethylphenoxy)- and 5-(2-halo-4-trifluoromethylphenoxy)-2-nitrobenzoic acid and salts and esters and amides | ROHM AND HAAS COMPANY (US) | 1983-06-01 | — | — | EP | disclosed |