Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 3/20 | 0.45 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.45 |
| ▸ | RAF1 | P04049 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.45 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.45 |
| ▸ | NEK2 | P51955 | 2/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.45 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.45 |
| ▸ | MAP2K5 | Q13163 | 2/20 | 0.45 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.45 |
| ▸ | NEK11 | Q8NG66 | 2/20 | 0.45 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.45 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.45 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2014028 | 0.82 | CYP3A4 (0.65) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL295554 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL297741 | 0.79 | CYP3A4 (0.74) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL2163433 | 0.79 | CYP3A4 (0.74) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL2163030 | 0.79 | CYP3A4 (0.69) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL414836 | 0.78 | CYP3A4 (0.81) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL2162971 | 0.78 | CYP3A4 (0.68) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL2054297 | 0.78 | CYP3A4 (0.68) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL410805 | 0.78 | CYP3A4 (0.84) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF | |
| SCHEMBL2162674 | 0.78 | CYP3A4 (0.83) | CYP3A4CYP2C19CYP2C9CYP2D6BRAF |
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-2516438-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011079133-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2011-06-30 | — | — | WO | disclosed |