Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 2/20 | 0.50 |
| ▸ | ABL1 | P00519 | 4/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.48 |
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | BRAF | P15056 | 9/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1367204 | 0.92 | KIT (0.50) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1366046 | 0.89 | BRAF (0.53) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1367427 | 0.85 | KIT (0.56) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1366044 | 0.83 | BRAF (0.58) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1367425 | 0.81 | KIT (0.56) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL4114192 | 0.80 | PIK3CA (0.55) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL4503280 | 0.79 | P4HTM (0.52) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL4113859 | 0.79 | KIT (0.56) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1367247 | 0.78 | BRAF (0.49) | KITABL1PIK3CAMTORBRAF | |
| SCHEMBL1365189 | 0.78 | BRAF (0.57) | KITABL1BRAFSRC |
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-2064213-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008028617-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-13 | — | — | WO | disclosed |