Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL857114 | 0.70 | PDK1 (0.37) | PARP1TNKS2PARP2 | |
| SCHEMBL3716267 | 0.69 | ACHE (0.32) | — | |
| SCHEMBL3712383 | 0.69 | ACHE (0.32) | — | |
| SCHEMBL27851711 | 0.68 | PDK1 (0.36) | PARP1TNKS2PARP2 | |
| SCHEMBL3236727 | 0.68 | EEF2K (0.38) | PARP1TNKS2PARP2 | |
| SCHEMBL856609 | 0.67 | PDK1 (0.33) | PARP1TNKS2PARP2 | |
| SCHEMBL3797050 | 0.66 | PDK1 (0.37) | PARP1TNKS2PARP2 | |
| SCHEMBL858000 | 0.65 | PDK1 (0.32) | — | |
| SCHEMBL855662 | 0.64 | PDK1 (0.36) | PARP1TNKS2PARP2 | |
| SCHEMBL854443 | 0.64 | PDK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |