Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | EEF2K | O00418 | 3/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL857347 | 0.88 | PDK1 (0.33) | PDK1ACHEEEF2KPARP1TNKS2 | |
| SCHEMBL859223 | 0.83 | PDK1 (0.31) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL855377 | 0.79 | PDK1 (0.32) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL3792760 | 0.73 | PDK1 (0.36) | PDK1ACHEEEF2KPARP1TNKS2 | |
| SCHEMBL856644 | 0.72 | PDK1 (0.33) | PDK1ACHEPARP1TNKS2PARP2 | |
| SCHEMBL3800230 | 0.71 | PDK1 (0.37) | PDK1EEF2KPARP1TNKS2PARP2 | |
| SCHEMBL859429 | 0.69 | PDK1 (0.33) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL856797 | 0.66 | PDK1 (0.31) | PDK1ACHE | |
| SCHEMBL8880918 | 0.66 | PDK1 (0.35) | PDK1ACHEPARP1TNKS2PARP2 | |
| SCHEMBL855662 | 0.66 | PDK1 (0.36) | PDK1ACHEPARP1TNKS2PARP2 |
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 4 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 |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |