Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 16/20 | 0.79 |
| ▸ | AKT1 | P31749 | 13/20 | 0.79 |
| ▸ | AURKB | Q96GD4 | 12/20 | 0.79 |
| ▸ | INCENP | Q9NQS7 | 10/20 | 0.79 |
| ▸ | AURKA | O14965 | 6/20 | 0.73 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.60 |
| ▸ | AKT2 | P31751 | 1/20 | 0.59 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9290650 | 1.00 | RPS6KB1 (0.79) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL17865837 | 0.89 | AKT1 (0.63) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL18537639 | 0.89 | RPS6KB1 (1.00) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL9290674 | 0.89 | RPS6KB1 (1.00) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL9290631 | 0.87 | RPS6KB1 (1.00) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL10256177 | 0.87 | AURKA (0.77) | RPS6KB1AURKBAURKAPDPK1 | |
| SCHEMBL8511366 | 0.87 | AKT1 (0.79) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL18537623 | 0.87 | AKT1 (0.79) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL8515078 | 0.87 | RPS6KB1 (0.77) | RPS6KB1AKT1AURKBINCENPAURKA | |
| SCHEMBL8587997 | 0.87 | RPS6KB1 (0.77) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2643313-B9 | QUINAZOLINE CARBOXAMIDE AZETIDINES | MERCK PATENT GMBH (DE) | 2017-02-22 | — | — | EP | disclosed |