Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 9/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | MAP3K12 | Q12852 | 5/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HCK | P08631 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL19937588 | 0.88 | MAP3K12 (0.47) | PIK3CAPIK3CGPIK3CDMAP3K12ALK | |
| SCHEMBL19937625 | 0.86 | MAP3K12 (0.57) | MAP3K12 | |
| SCHEMBL19937679 | 0.85 | MAP3K12 (0.56) | MAP3K12 | |
| SCHEMBL19937586 | 0.81 | MAP3K12 (0.46) | PIK3CAPIK3CGPIK3CDMAP3K12LRRK2 | |
| SCHEMBL3716276 | 0.81 | ALDH1A1 (0.53) | PIK3CAPIK3CGPIK3CDFYNABL1 | |
| SCHEMBL19937776 | 0.81 | MAP3K12 (0.44) | PIK3CAPIK3CGPIK3CDMAP3K12LRRK2 | |
| SCHEMBL19937616 | 0.77 | MAP3K12 (0.57) | PIK3CAMAP3K12 | |
| SCHEMBL19937621 | 0.77 | MAP3K12 (0.47) | PIK3CAPIK3CGPIK3CDMAP3K12LRRK2 | |
| SCHEMBL19937613 | 0.76 | MAP3K12 (0.50) | PIK3CAPIK3CGPIK3CDMAP3K12LRRK2 | |
| SCHEMBL19937763 | 0.76 | MAP3K12 (0.50) | PIK3CAMAP3K12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2945938-B1 | 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-03-07 | — | — | EP | disclosed |