Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RARB | P10826 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3688190 | 0.94 | TSHR (0.47) | MAPTTSHRALDH1A1MAPK1 | |
| SCHEMBL6233408 | 0.91 | MAPT (0.50) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL6674002 | 0.85 | MAPT (0.46) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL7870404 | 0.84 | ALDH1A1 (0.57) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL6229457 | 0.84 | MAPT (0.57) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL6233407 | 0.84 | CA12 (0.47) | MAPTTSHRALDH1A1MAPK1 | |
| SCHEMBL6670510 | 0.83 | TP53 (0.44) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL11454772 | 0.82 | TP53 (0.50) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL6674542 | 0.82 | TP53 (0.47) | MAPTTSHRTP53PLA2G4BALDH1A1 | |
| SCHEMBL14928993 | 0.82 | HDAC3 (0.47) | MAPTALDH1A1MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3747860-B1 | NOVEL CYCLOHEXANONE BASED PLASTICISERS | BASF SE (DE) | 2023-07-26 | — | — | EP | disclosed |
| EP-2139844-B1 | CONVERSION OF TEREPHTHALIC ACID TO DI-n-BUTYL TEREPHTHALATE | EASTMAN CHEM CO (US) | 2017-03-08 | — | — | EP | disclosed |
| US-7741509-B2 | Direct esterification of terephthalic acid (TPA) with n-butanol in the presence of a catalyst selected from methane sulfonic acid, sulfuric acid, methane disulfonic acid, butane sulfonic acid, perfluorobutane sulfonic acid, while employing a fractionating column; nonfoaming | EASTMAN CHEMICAL COMPANY (US) | 2010-06-22 | — | — | US | disclosed |
| EP-2139844-A1 | CONVERSION OF TEREPHTHALIC ACID TO DI-n-BUTYL TEREPHTHALATE | Eastman Chemical Company (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008123928-A1 | CONVERSION OF TEREPHTHALIC ACID TO DI-n-BUTYL TEREPHTHALATE | EASTMAN CHEMICAL COMPANY (US) | 2008-10-16 | — | — | WO | disclosed |
| US-20080183012-A1 | Conversion of terephthalic acid to Di-n-butyl terephthalate | EASTMAN CHEMICAL COMPANY | 2008-07-31 | — | — | US | disclosed |