Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.54 |
| ▸ | JAK3 | P52333 | 7/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | JAK1 | P23458 | 2/20 | 0.49 |
| ▸ | TYK2 | P29597 | 2/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 9/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nimucitinib SCHEMBL25217505 | 1.00 | AURKA (0.54) | AURKAAURKBJAK3IRAK4JAK2 | |
| Nimucitinib SCHEMBL30431368 | 1.00 | AURKA (0.54) | AURKAAURKBJAK3IRAK4JAK2 | |
| Nimucitinib SCHEMBL25269469 | 1.00 | AURKA (0.54) | AURKAAURKBJAK3IRAK4JAK2 | |
| Nimucitinib SCHEMBL30431422 | 1.00 | AURKA (0.54) | AURKAAURKBJAK3IRAK4JAK2 | |
| SCHEMBL26173194 | 0.85 | JAK3 (0.48) | AURKAAURKBJAK3IRAK4JAK2 | |
| SCHEMBL12206906 | 0.85 | JAK3 (0.63) | AURKAAURKBJAK3IRAK4JAK2 | |
| SCHEMBL25260540 | 0.84 | AURKA (0.43) | AURKAAURKBNTRK1CDK9F10 | |
| Hydrochloric Acid SCHEMBL2484232 | 0.84 | JAK3 (0.62) | AURKAAURKBJAK3IRAK4JAK2 | |
| SCHEMBL2485627 | 0.83 | JAK3 (0.53) | AURKAJAK3IRAK4JAK2JAK1 | |
| Hydrochloric Acid SCHEMBL2484490 | 0.83 | JAK3 (0.52) | AURKAJAK3IRAK4JAK2JAK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023100918-A1 | NOVEL NICOTINAMIDE COMPOUND AND USE THEREFOR | 興和株式会社 | 2023-06-08 | — | — | WO | claimed |
| WO-2023100918-A1 | NOVEL NICOTINAMIDE COMPOUND AND USE THEREFOR | 興和株式会社 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023100918-A1 | NOVEL NICOTINAMIDE COMPOUND AND USE THEREFOR | 興和株式会社 | 2023-06-08 | — | — | WO | disclosed |