Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 9/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL413622 | 0.83 | CYP2C9 (0.60) | CYP2C9CYP3A4CYP2C19CYP2D6PSIP1 | |
| SCHEMBL7875034 | 0.81 | CYP2C9 (0.80) | CYP2C9CYP3A4CYP2C19CYP2D6PSIP1 | |
| SCHEMBL412856 | 0.78 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL30636731 | 0.78 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2C19CYP2D6BRAF | |
| SCHEMBL285523 | 0.78 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2C19CYP2D6BRAF | |
| SCHEMBL12472503 | 0.77 | CYP2C9 (0.63) | CYP2C9CYP3A4CYP2C19CYP2D6PSIP1 | |
| SCHEMBL1818143 | 0.77 | CYP2C9 (0.68) | CYP2C9CYP3A4CYP2C19CYP2D6PSIP1 | |
| SCHEMBL856150 | 0.74 | CYP2C9 (0.60) | CYP2C9CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL1815445 | 0.73 | CYP2C9 (0.66) | CYP2C9CYP3A4CYP2C19CYP2D6LMNA | |
| SCHEMBL298756 | 0.72 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP2C19CYP2D6SMN1; SMN2 |
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-2427462-A1 | PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |