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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.35 |
| ▸ | RAF1 known ✓ | P04049 | 1/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 0.41 |
| ▸ | PPOX | P50336 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10495360 | 0.96 | TDP1 (0.41) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL11190333 | 0.90 | TDP1 (0.43) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL9120594 | 0.90 | MEN1 (0.52) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL11213666 | 0.88 | TDP1 (0.57) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL11114839 | 0.86 | TDP1 (0.45) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL11266141 | 0.86 | TDP1 (0.45) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL11287905 | 0.85 | ALDH1A1 (0.46) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL10947425 | 0.84 | GPR35 (0.39) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL10766268 | 0.83 | TDP1 (0.42) | TDP1MEN1KMT2ATTRPPOX | |
| SCHEMBL8923180 | 0.83 | SCN9A (0.43) | TDP1MEN1KMT2ATTRPPOX |
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 |
|---|---|---|---|---|---|---|---|
| EP-0356812-A2 | Adjuvants for use with crop protection agents | BASF Corporation (US) | 1990-03-07 | — | — | EP | disclosed |
| US-4439229-A | Substituted phthalimides herbicides | ROHM AND HAAS COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0068822-A2 | Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds | ROHM AND HAAS COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |