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 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | RECQL | P46063 | 3/20 | 0.49 |
| ▸ | BLM | P54132 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075937 | 0.87 | CYP1A2 (0.64) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL25453680 | 0.85 | CD40 (0.55) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL16153633 | 0.85 | CD40 (0.55) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL2602447 | 0.85 | CYP1A2 (0.53) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL11926252 | 0.85 | CYP1A2 (0.47) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL3435585 | 0.84 | ENPP2 (0.51) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL16557876 | 0.83 | HPGD (0.54) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL28747688 | 0.83 | CYP1A2 (0.54) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL16153631 | 0.83 | CYP3A4 (0.50) | CYP1A2HPGDMEN1ALDH1A1MAPT | |
| SCHEMBL19628862 | 0.82 | CYP1A2 (0.60) | CYP1A2HPGDMEN1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111825999-B | Yellow dye composition and application thereof in dyeing nylon microfiber leather | 青岛海湾精细化工有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-114716845-A | Acidic ink-jet digital printing ink, preparation method and application | 青岛英杰泰新材料有限公司 | 2022-07-08 | — | — | CN | disclosed |
| 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 |