Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | ITK | Q08881 | 2/20 | 0.41 |
| ▸ | JAK3 | P52333 | 4/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 3/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL3394454 | 0.86 | JAK3 (0.41) | BTKITKJAK3TYRO3NPC1 | |
| SCHEMBL3396088 | 0.84 | JAK3 (0.42) | BTKITKJAK3NPC1RAB9A | |
| SCHEMBL3399105 | 0.83 | JAK3 (0.39) | BTKITKJAK3NPC1JAK2 | |
| SCHEMBL3397744 | 0.83 | NPC1 (0.41) | BTKITKJAK3TYRO3NPC1 | |
| SCHEMBL3394488 | 0.81 | JAK3 (0.40) | BTKITKJAK3NPC1RAB9A | |
| SCHEMBL2277329 | 0.80 | JAK3 (0.55) | BTKITKJAK3TYRO3SYK | |
| SCHEMBL3398248 | 0.80 | MAPK1 (0.40) | BTKITKJAK3NPC1RAB9A | |
| SCHEMBL3396277 | 0.79 | JAK3 (0.39) | BTKITKJAK3NPC1RAB9A | |
| SCHEMBL3393665 | 0.77 | TTK (0.38) | BTKITKJAK3JAK2MAPK1 | |
| SCHEMBL3398992 | 0.76 | JAK3 (0.42) | BTKITKJAK3MAPK1SYK |
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 |