Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 3/20 | 0.66 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.66 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.55 |
| ▸ | ULK1 | O75385 | 1/20 | 0.53 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.51 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31471765 | 0.81 | PAK4 (0.81) | PAK4PAK1SRCCCNA2CDK2 | |
| SCHEMBL31471889 | 0.81 | PAK4 (0.74) | PAK4PAK1 | |
| SCHEMBL31141210 | 0.80 | PAK4 (0.61) | PAK4PAK1NTRK1ULK1SRC | |
| SCHEMBL22072524 | 0.79 | PAK4 (0.83) | PAK4PAK1 | |
| SCHEMBL31471972 | 0.79 | PAK4 (0.83) | PAK4PAK1 | |
| SCHEMBL22072090 | 0.77 | PAK4 (0.77) | PAK4PAK1 | |
| SCHEMBL31471946 | 0.77 | PAK4 (0.65) | PAK4PAK1NTRK1ULK1SRC | |
| SCHEMBL31472008 | 0.77 | PAK4 (0.65) | PAK4PAK1NTRK1ULK1SRC | |
| SCHEMBL3644297 | 0.77 | CDK1 (0.62) | CDK2 | |
| SCHEMBL3644294 | 0.77 | CDK1 (0.62) | CDK2 |
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-2020118183-A1 | 2,4-DIAMINOPYRIMIDINE BICYCLES FOR TREATING CANCER | KAPOOR TARUN M (US) | 2020-06-11 | — | — | WO | disclosed |