Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL856371 | 0.80 | LIMK1 (0.37) | LIMK1PDK1PARP1TNKS2PARP2 | |
| SCHEMBL1586120 | 0.70 | DRD1 (0.48) | DRD1MAPK1 | |
| SCHEMBL16079383 | 0.70 | KDM4E (0.45) | DRD1MAPK1 | |
| SCHEMBL9287302 | 0.69 | KDM4E (0.55) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL15127493 | 0.68 | KDM4E (0.44) | LIMK1DRD1MAPK1 | |
| SCHEMBL8880918 | 0.67 | PDK1 (0.35) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL855822 | 0.67 | PARP1 (0.41) | PDK1PARP1TNKS2PARP2CES1 | |
| SCHEMBL9538975 | 0.67 | HDAC9 (0.41) | LIMK1PDK1PARP1TNKS2PARP2 | |
| SCHEMBL9284199 | 0.66 | PDK1 (0.34) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL858825 | 0.66 | PDK1 (0.33) | LIMK1PDK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| WO-2010135568-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |