Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 11/20 | 0.87 |
| ▸ | FLT3 | P36888 | 2/20 | 0.87 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20108041 | 1.00 | NEK2 (0.87) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108040 | 0.93 | NEK2 (1.00) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108291 | 0.93 | NEK2 (1.00) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108161 | 0.93 | NEK2 (1.00) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108258 | 0.92 | NEK2 (0.90) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108038 | 0.92 | NEK2 (0.90) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108155 | 0.86 | NEK2 (0.79) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL20108284 | 0.86 | NEK2 (0.87) | NEK2FLT3AURKACHEK1ABL1 | |
| SCHEMBL2523731 | 0.74 | PLK1 (0.77) | NEK2FLT3PLK1PLK3 | |
| SCHEMBL2524225 | 0.71 | PLK1 (0.79) | PLK1 |
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-2018081719-A1 | SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2018-05-03 | — | — | WO | disclosed |