Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 10/20 | 0.55 |
| ▸ | CDK4 | P11802 | 9/20 | 0.55 |
| ▸ | CCND1 | P24385 | 9/20 | 0.55 |
| ▸ | CDK2 | P24941 | 9/20 | 0.55 |
| ▸ | BTK | Q06187 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836156 | 0.91 | CDK1 (0.56) | CDK1CDK4CCND1CDK2BTK | |
| SCHEMBL3834933 | 0.89 | CDK1 (0.54) | CDK1CDK4CCND1CDK2BTK | |
| SCHEMBL3835552 | 0.88 | CDK1 (0.58) | CDK1CDK4CCND1CDK2BTK | |
| SCHEMBL3841254 | 0.86 | CDK2 (0.57) | CDK1CDK4CCND1CDK2MAP4K4 | |
| SCHEMBL3841297 | 0.86 | CDK1 (0.74) | CDK1CDK4CCND1CDK2ALDH1A1 | |
| SCHEMBL3835400 | 0.85 | CDK2 (0.58) | CDK1CDK4CCND1CDK2BTK | |
| SCHEMBL3837044 | 0.85 | CDK1 (0.59) | CDK1CDK4CCND1CDK2EGFR | |
| SCHEMBL3837689 | 0.84 | CDK2 (0.56) | CDK1CDK4CCND1CDK2EGFR | |
| SCHEMBL3841282 | 0.84 | CDK2 (0.50) | CDK1CDK4CCND1CDK2ALDH1A1 | |
| SCHEMBL27708355 | 0.83 | CDK1 (0.76) | CDK1CDK4CCND1CDK2BTK |
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-1771420-B1 | NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-10-14 | — | — | EP | claimed |