Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | JAK3 | P52333 | 4/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | ITK | Q08881 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398248 | 0.82 | MAPK1 (0.40) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3397744 | 0.81 | NPC1 (0.41) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL2280460 | 0.79 | JAK3 (0.53) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3396277 | 0.79 | JAK3 (0.39) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3394454 | 0.77 | JAK3 (0.41) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3399285 | 0.76 | PDPK1 (0.38) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3398594 | 0.76 | MAPK1 (0.38) | CYP2D6SYKMAPK1JAK3 | |
| SCHEMBL3399521 | 0.76 | BRD4 (0.46) | — | |
| SCHEMBL3396088 | 0.75 | JAK3 (0.42) | CYP2D6SYKMAPK1JAK3BTK | |
| SCHEMBL3396178 | 0.75 | BTK (0.41) | SYKMAPK1JAK3BTKITK |
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-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 |