Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13488129 | 0.91 | PDK2 (0.49) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL13487899 | 0.89 | PDK2 (0.47) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL24433132 | 0.88 | CYP11B1 (0.41) | PDK2CYP11B1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL13487838 | 0.88 | PDK2 (0.44) | PDK2CYP11B1CYP17A1CYP2A6ALDH1A1 | |
| SCHEMBL13487757 | 0.88 | PDK2 (0.46) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL15977617 | 0.88 | PDK2 (0.51) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL1102673 | 0.86 | PDK2 (0.37) | PDK2CYP11B1CYP17A1CYP1A2DHODH | |
| SCHEMBL15908009 | 0.86 | CYP11B2 (0.49) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL13488052 | 0.85 | CYP11B2 (0.49) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL13487981 | 0.85 | PDK2 (0.42) | PDK2CYP11B1CYP11B2CYP19A1CYP17A1 |
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-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |