Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 10/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 5/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB29 | O14966 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | YES1 | P07947 | 1/20 | 0.37 |
| ▸ | LYN | P07948 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3961651 | 0.95 | AURKA (0.44) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3966880 | 0.92 | AURKA (0.48) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3964301 | 0.88 | AURKA (0.43) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3969448 | 0.86 | AURKA (0.49) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3963924 | 0.84 | AURKA (0.46) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3968682 | 0.84 | AURKA (0.47) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3968821 | 0.83 | NTRK1 (0.50) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3973818 | 0.83 | AURKA (0.54) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3974370 | 0.83 | AURKA (0.46) | AURKAPIK3C3GSK3BAURKBPLK4 | |
| SCHEMBL3968225 | 0.82 | AURKA (0.51) | AURKAPIK3C3GSK3BAURKBPLK4 |
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-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | claimed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | claimed |