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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | XBP1 | P17861 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9759962 | 0.87 | MEN1 (0.43) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9759130 | 0.85 | MEN1 (0.58) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9759531 | 0.85 | LMNA (0.47) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9759758 | 0.81 | TDP1 (0.50) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9759894 | 0.81 | TDP1 (0.49) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9760115 | 0.81 | MEN1 (0.56) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL11455998 | 0.78 | KMT2A (0.56) | SMN1; SMN2MAPTMEN1KMT2ALMNA | |
| SCHEMBL11017180 | 0.78 | MEN1 (0.61) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9759024 | 0.77 | TDP1 (0.54) | SMN1; SMN2MAPTMEN1KMT2AGAA | |
| SCHEMBL9760290 | 0.77 | MAPT (0.42) | SMN1; SMN2MAPTMEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5028732-A | Herbicidally active amino diphenyl ethers | ROHM AND HAAS COMPANY (US) | 1991-07-02 | — | — | US | disclosed |
| EP-0130041-B1 | NOVEL HERBICIDAL SUBSTITUTED PYRIDYL PHENYL AND DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS | ROHM AND HAAS COMPANY (US) | 1988-01-13 | — | — | EP | disclosed |
| EP-0130041-A1 | Novel herbicidal substituted pyridyl phenyl and diphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds | ROHM AND HAAS COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |