Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3155226 | 0.88 | ESR1 (0.41) | ESR1ESR2PDK2APPBACE1 | |
| SCHEMBL4072602 | 0.86 | ESR1 (0.64) | ESR1ESR2PDK2CYP2C19ALDH1A1 | |
| SCHEMBL4760269 | 0.84 | NQO2 (0.41) | ESR1ESR2CYP2C19BACE1ALDH1A1 | |
| SCHEMBL13567251 | 0.83 | ALDH1A1 (0.44) | ESR1ESR2PDK2CYP2C19AKR1A1 | |
| SCHEMBL10299749 | 0.82 | ESR1 (0.36) | ESR1ESR2PDK2AKR1A1AKR1B1 | |
| SCHEMBL10299747 | 0.82 | ESR1 (0.42) | ESR1ESR2PDK2AKR1A1AKR1B1 | |
| SCHEMBL14521000 | 0.82 | PDK2 (0.42) | ESR1ESR2PDK2AKR1A1AKR1B1 | |
| SCHEMBL10020319 | 0.79 | PDK2 (0.38) | PDK2AKR1A1AKR1B1S100A4TDP2 | |
| SCHEMBL14330067 | 0.79 | PDK2 (0.38) | ESR1ESR2PDK2AKR1A1AKR1B1 | |
| SCHEMBL15316155 | 0.79 | MAPK1 (0.48) | ESR1ESR2PDK2CYP2C19ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012011510-A1 | ORGANIC EL ELEMENT | 住友化学株式会社 (JP) | 2012-01-26 | — | — | WO | disclosed |