Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9284199 | 0.85 | PDK1 (0.34) | PDK1PARP1TNKS2PARP2ACHE | |
| SCHEMBL15434699 | 0.85 | PDK1 (0.34) | PDK1PARP1TNKS2PARP2ACHE | |
| SCHEMBL15434696 | 0.83 | PDK1 (0.33) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL15434636 | 0.81 | MAPK1 (0.34) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL16479770 | 0.79 | PDK1 (0.39) | PDK1PARP1TNKS2PARP2ACHE | |
| SCHEMBL15434640 | 0.77 | ALOX15 (0.35) | PARP1TNKS2PARP2ACHE | |
| SCHEMBL9287302 | 0.76 | KDM4E (0.55) | PDK1PARP1TNKS2PARP2ACHE | |
| SCHEMBL15508448 | 0.73 | PDK1 (0.33) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL9290708 | 0.71 | PDK1 (0.33) | PDK1PARP1TNKS2PARP2ACHE | |
| SCHEMBL15508416 | 0.71 | PDK1 (0.31) | PDK1PARP1TNKS2PARP2 |
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-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |