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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | DNASE1L3 | Q13609 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 6/20 | 0.48 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTPRA | P18433 | 1/20 | 0.46 |
| ▸ | PTPRB | P23467 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | PHLPP2 | Q6ZVD8 | 2/20 | 0.44 |
| ▸ | SUMO2 | P61956 | 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 | |
|---|---|---|---|---|
| SCHEMBL30116101 | 0.90 | PHLPP2 (0.54) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL11693259 | 0.79 | CYP1A2 (0.60) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL29637806 | 0.74 | PHLPP2 (0.53) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL29500413 | 0.74 | ENPP2 (0.49) | CYP1A2MAPK1CYP2C9DNASE1L3ENPP2 | |
| SCHEMBL30371412 | 0.74 | SENP2 (0.56) | CYP1A2MAPK1CYP2C9ALDH1A1HIF1A | |
| E110 SCHEMBL21243289 | 0.71 | THRB (0.67) | CYP1A2MAPK1CYP2C9ALDH1A1HIF1A | |
| SCHEMBL14418371 | 0.71 | CYP1A2 (0.67) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL11763437 | 0.71 | CYP1A2 (0.67) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL31525848 | 0.71 | CYP1A2 (0.67) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 | |
| SCHEMBL23787793 | 0.71 | ENPP2 (0.56) | CYP1A2MAPK1CYP2C9DNASE1L3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110093063-B | Magenta dye-based ink composition, ink set, and method for improving print quality of magenta dye-based ink composition | 船井电机株式会社 | 2022-05-17 | — | — | CN | disclosed |