Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 18/20 | 0.53 |
| ▸ | AKT1 | P31749 | 7/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.51 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL528551 | 1.00 | RPS6KB1 (0.53) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL528328 | 1.00 | RPS6KB1 (0.53) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL527754 | 1.00 | RPS6KB1 (0.53) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL15197030 | 0.92 | RPS6KB1 (0.64) | RPS6KB1AKT1AURKBINCENP | |
| SCHEMBL527909 | 0.92 | RPS6KB1 (0.64) | RPS6KB1AKT1AURKBINCENP | |
| SCHEMBL529296 | 0.91 | AKT1 (0.53) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL10126296 | 0.90 | AKT1 (0.51) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL528479 | 0.90 | AKT1 (0.51) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL18597278 | 0.90 | AKT1 (0.51) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL528633 | 0.89 | RPS6KB1 (0.53) | RPS6KB1AKT1AURKBINCENPAURKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2598497-A1 | CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES | Merck Patent GmbH (DE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016001-A1 | CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |