Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14974697 | 0.78 | POLB (0.34) | AKT1RPS6KB1AURKBINCENPGAA | |
| Trifluoroacetic Acid SCHEMBL12467202 | 0.76 | AKT1 (0.33) | AKT1RPS6KB1AURKBINCENPMAPT | |
| SCHEMBL527124 | 0.70 | RPS6KB1 (0.40) | AKT1RPS6KB1AURKBINCENPGAA | |
| Trifluoroacetic Acid SCHEMBL12467197 | 0.69 | MRGPRX4 (0.33) | GAAMAPTHTT | |
| SCHEMBL10093516 | 0.68 | RPS6KB1 (0.68) | AKT1RPS6KB1AURKBINCENPAURKA | |
| SCHEMBL17200096 | 0.68 | RPS6KB1 (0.68) | AKT1RPS6KB1AURKBINCENPAURKA | |
| SCHEMBL14974383 | 0.68 | RPS6KB1 (0.59) | AKT1RPS6KB1AURKBINCENPAURKA | |
| SCHEMBL14974384 | 0.68 | RPS6KB1 (0.59) | AKT1RPS6KB1AURKBINCENPAURKA | |
| SCHEMBL14974538 | 0.68 | RPS6KB1 (0.47) | AKT1RPS6KB1AURKBINCENPAURKA | |
| SCHEMBL27896112 | 0.67 | RPS6KB1 (0.49) | AKT1RPS6KB1AURKBINCENPAURKA |
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-2598492-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | Merck Patent GmbH (DE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012013282-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |