Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 11/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 6/20 | 0.38 |
| ▸ | JAK3 | P52333 | 5/20 | 0.38 |
| ▸ | TYK2 | P29597 | 4/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 5/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL2279026 | 0.92 | JAK1 (0.52) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2226057 | 0.90 | JAK1 (0.51) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2223327 | 0.90 | JAK1 (0.53) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2223730 | 0.90 | JAK1 (0.53) | JAK1CYP2C19JAK2JAK3TYK2 | |
| Hydrochloric Acid SCHEMBL2225744 | 0.89 | JAK1 (0.52) | JAK1JAK2JAK3TYK2AURKA | |
| SCHEMBL2273246 | 0.88 | JAK1 (0.52) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2273826 | 0.87 | JAK1 (0.48) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2273234 | 0.87 | JAK1 (0.48) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2270971 | 0.87 | JAK1 (0.48) | JAK1CYP2C19JAK2JAK3TYK2 | |
| SCHEMBL2275475 | 0.87 | JAK1 (0.43) | JAK1CYP2C19JAK2JAK3TYK2 |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |