Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 12/20 | 0.39 |
| ▸ | JAK2 | O60674 | 10/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2277872 | 0.89 | JAK1 (0.45) | JAK1JAK2JAK3CYP3A4 | |
| SCHEMBL2276023 | 0.86 | JAK1 (0.47) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2277347 | 0.86 | JAK1 (0.53) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2274417 | 0.85 | JAK1 (0.45) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2227224 | 0.84 | JAK1 (0.43) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2276970 | 0.84 | JAK1 (0.50) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2285037 | 0.84 | JAK1 (0.39) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2279212 | 0.83 | JAK1 (0.34) | JAK1JAK2JAK3TAF1CYP3A4 | |
| SCHEMBL2275088 | 0.83 | JAK1 (0.41) | JAK1JAK2HTTJAK3AURKA | |
| SCHEMBL2278884 | 0.83 | JAK2 (0.35) | JAK1JAK2HTTALDH1A1HTR6 |
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 |