Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 17/20 | 0.73 |
| ▸ | RPS6KB1 | P23443 | 16/20 | 0.73 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.57 |
| ▸ | GALR3 | O60755 | 1/20 | 0.54 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL27830098 | 1.00 | AURKA (0.73) | AURKARPS6KB1AURKBGALR3NR2F2 | |
| SCHEMBL665746 | 0.84 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL665928 | 0.84 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL665747 | 0.84 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL665726 | 0.77 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL664658 | 0.77 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL665725 | 0.77 | AURKA (1.00) | AURKARPS6KB1AURKB | |
| SCHEMBL27830110 | 0.75 | AURKA (0.74) | AURKARPS6KB1AURKBGALR3NR2F2 | |
| SCHEMBL27830081 | 0.74 | AURKA (0.75) | AURKARPS6KB1AURKB | |
| SCHEMBL27848833 | 0.74 | AURKA (0.76) | AURKARPS6KB1AURKB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102317269-A | Novel amino aza heterocyclic carboxamides | MERCK PATENT GMBH | 2012-01-11 | — | — | CN | disclosed |