Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.41 |
| ▸ | IDO1 | P14902 | 6/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3397956 | 0.90 | MAPK1 (0.42) | MAPK1IDO1CYP3A4CYP2D6 | |
| SCHEMBL3398976 | 0.84 | MAPK1 (0.49) | MAPK1CYP2D6CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL2275195 | 0.79 | JAK3 (0.57) | SCN9AMAPK1IDO1CYP2D6CYP2C9 | |
| SCHEMBL3396270 | 0.78 | CDK8 (0.48) | MAPK1CYP2D6SYKJAK3 | |
| SCHEMBL3393845 | 0.77 | MAPK1 (0.38) | MAPK1CYP2D6SYKJAK3 | |
| SCHEMBL3399095 | 0.77 | CDK8 (0.42) | MAPK1CYP2D6SYKJAK3 | |
| SCHEMBL3396373 | 0.75 | JAK3 (0.44) | MAPK1JAK3 | |
| SCHEMBL2337979 | 0.72 | MAPK1 (0.37) | MAPK1CYP2D6SYKJAK3 | |
| SCHEMBL2341240 | 0.72 | LRRK2 (0.38) | MAPK1SYKJAK3 | |
| SCHEMBL3395308 | 0.72 | MAPK1 (0.34) | MAPK1CYP2C9SYKJAK3 |
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 |