Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 8/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | BRAF | P15056 | 3/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | KRAS | P01116 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ARAF | P10398 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | FECH | P22830 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 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 | |
|---|---|---|---|---|
| SCHEMBL413409 | 0.90 | BRAF (0.49) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL298841 | 0.89 | CYP2C9 (0.58) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL2353091 | 0.89 | BRAF (0.42) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL298599 | 0.88 | BRAF (0.58) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL994632 | 0.87 | BRAF (0.45) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL297872 | 0.87 | CYP2C9 (0.48) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL413438 | 0.85 | BRAF (0.45) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL995687 | 0.85 | BRAF (0.56) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL285511 | 0.85 | BRAF (0.44) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF | |
| SCHEMBL1723925 | 0.83 | CYP3A4 (0.49) | CYP2C9CYP2D6CYP2C19CYP3A4BRAF |
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-2427462-A1 | PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |
| EP-2427433-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |