Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 16/20 | 0.64 |
| ▸ | TYK2 | P29597 | 15/20 | 0.64 |
| ▸ | JAK3 | P52333 | 15/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | JAK2 | O60674 | 15/20 | 0.57 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | PRKCA | P17252 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10281504 | 0.87 | JAK1 (0.56) | JAK1TYK2JAK3JAK2AURKA | |
| SCHEMBL10281991 | 0.84 | JAK1 (0.73) | JAK1TYK2JAK3CYP3A4JAK2 | |
| SCHEMBL10282019 | 0.83 | JAK1 (0.78) | JAK1JAK2 | |
| SCHEMBL20812923 | 0.82 | JAK1 (0.70) | JAK1TYK2JAK3CYP3A4JAK2 | |
| SCHEMBL22641779 | 0.82 | JAK3 (0.69) | JAK1TYK2JAK3CYP3A4JAK2 | |
| SCHEMBL10281497 | 0.82 | JAK1 (0.74) | JAK1TYK2JAK3JAK2AURKA | |
| SCHEMBL9953398 | 0.81 | JAK1 (0.52) | JAK1TYK2JAK3JAK2AURKA | |
| SCHEMBL10281506 | 0.81 | JAK1 (0.56) | JAK1TYK2JAK3JAK2AURKA | |
| SCHEMBL10281983 | 0.80 | JAK1 (0.60) | JAK1JAK2 | |
| SCHEMBL2226240 | 0.80 | JAK3 (0.80) | JAK1TYK2JAK3CYP3A4JAK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085176-A1 | TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-28 | — | — | WO | disclosed |