Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL30542925 | 1.00 | GSK3B (0.39) | GSK3BADKDHFRTYMPMEN1 | |
| SCHEMBL1207137 | 0.83 | CRHBP (0.41) | KMT2ACYP1A2CYP2C9KDM4E | |
| Boric Acid SCHEMBL28232822 | 0.83 | CYP1A2 (0.44) | GSK3BADKDHFRTYMPMEN1 | |
| SCHEMBL30761753 | 0.81 | TRPM4 (0.40) | MEN1KMT2ACYP1A2SOS1GPR84 | |
| SCHEMBL30807904 | 0.81 | PPARG (0.42) | GSK3BADKDHFRHDAC8HDAC6 | |
| SCHEMBL15887506 | 0.80 | DHFR (0.42) | GSK3BADKDHFRTYMPMEN1 | |
| SCHEMBL5555759 | 0.79 | ALDH1A1 (0.35) | MEN1KMT2AHDAC8HDAC6GPR84 | |
| SCHEMBL30968172 | 0.79 | GPR84 (0.35) | MEN1KMT2AHDAC8HDAC6GPR84 | |
| SCHEMBL702934 | 0.79 | ALDH1A1 (0.50) | GSK3BADKDHFRTYMPMEN1 | |
| SCHEMBL29407412 | 0.79 | ALDH1A1 (0.50) | GSK3BADKDHFRTYMPMEN1 |
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 |