Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3507602 | 0.86 | CYP2C9 (0.45) | CYP2C9CYP3A4AAK1CYP2D6MTNR1A | |
| SCHEMBL3507600 | 0.86 | AAK1 (0.46) | CYP2C9CYP3A4AAK1CYP2D6MTNR1A | |
| SCHEMBL299323 | 0.84 | CYP2C9 (0.73) | CYP2C9CYP3A4CYP2D6KDRPAK1 | |
| SCHEMBL12459553 | 0.81 | BRAF (0.56) | CYP2C9CYP3A4AAK1AXLKDR | |
| SCHEMBL3698741 | 0.77 | AAK1 (0.53) | AAK1MTNR1AMTNR1BAXL | |
| SCHEMBL3711724 | 0.77 | AAK1 (0.55) | AAK1MTNR1AMTNR1BAXLKDR | |
| SCHEMBL3700265 | 0.76 | MTNR1A (0.44) | CYP2C9AAK1CYP2D6MTNR1AMTNR1B | |
| SCHEMBL15667586 | 0.75 | CYP2D6 (0.64) | CYP2C9CYP3A4AAK1CYP2D6BRAF | |
| SCHEMBL10283344 | 0.75 | AAK1 (0.51) | AAK1MTNR1AMTNR1BAXL | |
| SCHEMBL413850 | 0.75 | BRAF (0.48) | CYP2C9CYP3A4AAK1CYP2D6AXL |
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 |