Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 15/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399285 | 0.92 | PDPK1 (0.38) | MAPK1PDPK1JAK3CYP2D6 | |
| SCHEMBL3398594 | 0.83 | MAPK1 (0.38) | MAPK1JAK3CYP2D6 | |
| SCHEMBL3396888 | 0.81 | MAPK1 (0.37) | MAPK1JAK3CYP2D6MTOR | |
| SCHEMBL3396186 | 0.78 | MAPK1 (0.44) | MAPK1 | |
| SCHEMBL3396338 | 0.78 | BRD4 (0.44) | MAPK1JAK3 | |
| SCHEMBL3397717 | 0.78 | MAPK1 (0.41) | MAPK1JAK3CYP19A1 | |
| SCHEMBL2279263 | 0.77 | JAK3 (0.55) | MAPK1JAK3 | |
| SCHEMBL3397744 | 0.76 | NPC1 (0.41) | MAPK1JAK3CYP2D6 | |
| SCHEMBL3395584 | 0.76 | MAP4K1 (0.45) | MAPK1 | |
| SCHEMBL3398248 | 0.76 | MAPK1 (0.40) | MAPK1JAK3CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |