Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5551754 | 0.80 | ACHE (0.53) | ACHEKDM4EHPGDHTTMAPT | |
| SCHEMBL3000291 | 0.79 | KDM4E (0.42) | CYP2C19ACHEPTPN1KDM4EL3MBTL1 | |
| SCHEMBL2448770 | 0.77 | TNKS (0.40) | KIF11 | |
| SCHEMBL9958210 | 0.76 | KIF11 (0.37) | KIF11PPARGPPARACYP2C19CYP2C9 | |
| SCHEMBL12560663 | 0.75 | MAPK1 (0.48) | CYP2C19CYP2C9ACHEKDM4EL3MBTL1 | |
| SCHEMBL9957605 | 0.75 | NQO1 (0.47) | CYP2C19CYP2C9KDM4ECYP1A2HPGD | |
| SCHEMBL14600340 | 0.74 | KIF11 (0.38) | KIF11PPARGPPARACYP2C19CYP2C9 | |
| SCHEMBL1505829 | 0.74 | ACHE (0.49) | ACHEKDM4EL3MBTL1MAPTMAPK1 | |
| SCHEMBL5556584 | 0.73 | CYP1A2 (0.47) | CYP2C19CYP2C9KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL14600418 | 0.73 | KIF11 (0.38) | KIF11PPARGPPARACYP2C19CYP2C9 |
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-1221434-B1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-20050074631-A1 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-04-07 | — | — | US | disclosed |