Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 3/20 | 0.53 |
| ▸ | FABP4 | P15090 | 1/20 | 0.49 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | PIR | O00625 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.47 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.47 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.47 |
| ▸ | STK16 | O75716 | 1/20 | 0.47 |
| ▸ | OXSR1 | O95747 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12459559 | 0.93 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL287356 | 0.92 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL12459542 | 0.87 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL297431 | 0.87 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL297899 | 0.87 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL5139681 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL14620763 | 0.83 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL8249080 | 0.83 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL299331 | 0.82 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF | |
| SCHEMBL298275 | 0.82 | BRAF (0.61) | CYP3A4CYP2C9CYP2C19CYP2D6BRAF |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893612-B1 | PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON INC (US) | 2011-08-03 | — | — | EP | disclosed |