Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 13/20 | 0.50 |
| ▸ | JAK2 | O60674 | 10/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | PRKCA | P17252 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9992071 | 0.92 | JAK1 (0.50) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2274745 | 0.90 | JAK2 (0.53) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2273730 | 0.90 | JAK1 (0.41) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2227224 | 0.90 | JAK1 (0.43) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2277347 | 0.90 | JAK1 (0.53) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2276750 | 0.89 | JAK2 (0.55) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2276752 | 0.89 | JAK2 (0.55) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2280657 | 0.89 | JAK2 (0.48) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2365115 | 0.89 | HTT (0.41) | JAK1JAK2AURKAPRKCAKDR | |
| SCHEMBL2280647 | 0.88 | JAK3 (0.42) | JAK1JAK2AURKAPRKCAKDR |
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 |