Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 14/20 | 0.82 |
| ▸ | AKT2 | P31751 | 1/20 | 0.82 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.82 |
| ▸ | RPS6KB1 | P23443 | 17/20 | 0.71 |
| ▸ | AURKB | Q96GD4 | 12/20 | 0.71 |
| ▸ | INCENP | Q9NQS7 | 10/20 | 0.71 |
| ▸ | AURKA | O14965 | 5/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8586856 | 0.93 | RPS6KB1 (0.82) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL8515230 | 0.93 | RPS6KB1 (0.82) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL17822442 | 0.90 | AKT1 (1.00) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL17865834 | 0.87 | AKT1 (0.67) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL17865872 | 0.87 | RPS6KB1 (0.67) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL8512442 | 0.84 | AKT1 (0.82) | AKT1AKT2AKT3RPS6KB1AURKB | |
| SCHEMBL17865811 | 0.84 | AKT1 (0.69) | AKT1AKT2AKT3RPS6KB1AURKB | |
| Rupitasertib SCHEMBL18537702 | 0.83 | RPS6KB1 (1.00) | AKT1AKT2AKT3RPS6KB1AURKB | |
| Rupitasertib SCHEMBL29603841 | 0.83 | RPS6KB1 (1.00) | AKT1AKT2AKT3RPS6KB1AURKB | |
| Rupitasertib SCHEMBL15262358 | 0.83 | RPS6KB1 (1.00) | AKT1AKT2AKT3RPS6KB1AURKB |
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-B1 | QUINAZOLINE CARBOXAMIDE AZETIDINES | MERCK PATENT GMBH (DE) | 2016-06-29 | — | — | EP | disclosed |