Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 11/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396005 | 0.90 | SCN9A (0.42) | MAPK1CYP3A4CYP2D6IDO1 | |
| SCHEMBL2274902 | 0.77 | JAK3 (0.57) | MAPK1CYP2D6 | |
| SCHEMBL3398976 | 0.73 | MAPK1 (0.49) | MAPK1CYP2D6 | |
| SCHEMBL3397950 | 0.73 | SYK (0.40) | MAPK1CYP3A4CYP2D6 | |
| SCHEMBL3395308 | 0.72 | MAPK1 (0.34) | MAPK1 | |
| SCHEMBL3396270 | 0.72 | CDK8 (0.48) | MAPK1CYP2D6 | |
| SCHEMBL3393952 | 0.71 | MAPK1 (0.54) | MAPK1 | |
| SCHEMBL3393845 | 0.71 | MAPK1 (0.38) | MAPK1CYP2D6 | |
| SCHEMBL3400811 | 0.71 | ADK (0.48) | — | |
| SCHEMBL2337979 | 0.70 | MAPK1 (0.37) | MAPK1CYP2D6 |
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 |