Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 16/20 | 0.69 |
| ▸ | AURKA | O14965 | 8/20 | 0.52 |
| ▸ | AKT1 | P31749 | 4/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL527951 | 1.00 | RPS6KB1 (0.69) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL529013 | 1.00 | RPS6KB1 (0.69) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL528194 | 1.00 | RPS6KB1 (0.69) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL528556 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL527635 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL15197026 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL528000 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL18845464 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL15197034 | 0.91 | RPS6KB1 (0.73) | RPS6KB1AURKAAKT1PDPK1AURKB | |
| SCHEMBL528741 | 0.88 | AKT1 (0.66) | RPS6KB1AURKAAKT1AURKB |
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 |