Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARK3 | P27448 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15578826 | 0.79 | MARK3 (0.43) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL31219658 | 0.79 | MARK3 (0.43) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL23097108 | 0.77 | PDK2 (0.47) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL18850912 | 0.77 | MARK3 (0.41) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL11988474 | 0.73 | CYP2C19 (0.39) | MARK3CYP2C19PDE3BPDE3ANOS1 | |
| SCHEMBL31219683 | 0.72 | MARK3 (0.41) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL6635379 | 0.70 | — | — | |
| SCHEMBL13686002 | 0.69 | PDK2 (0.41) | MARK3PDK2PDK4PDK1PDK3 | |
| SCHEMBL24996439 | 0.69 | PDK2 (0.41) | PDK2PDK4MAPK14CYP2C19PDE3B | |
| SCHEMBL31404120 | 0.69 | PDK2 (0.50) | MARK3PDK2PDK4PDK1PDK3 |
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-2017076842-A1 | INDOLIN-2-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-05-11 | — | — | WO | disclosed |