Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 16/20 | 0.68 |
| ▸ | AKT1 | P31749 | 10/20 | 0.68 |
| ▸ | GSK3B | P49841 | 4/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.57 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3917914 | 0.90 | AKT2 (0.70) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL3930369 | 0.89 | AKT2 (0.86) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL12585558 | 0.85 | AKT2 (0.75) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL5671960 | 0.84 | AKT2 (0.54) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL1002126 | 0.81 | AKT2 (1.00) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL29367023 | 0.81 | AKT2 (1.00) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL1002812 | 0.80 | AKT2 (0.72) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL1000903 | 0.80 | AKT2 (1.00) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL3917917 | 0.79 | AKT2 (0.87) | AKT2AKT1GSK3BCYP2C9CYP2D6 | |
| SCHEMBL3917909 | 0.79 | AKT2 (0.61) | AKT2AKT1GSK3BCYP2C9CYP2D6 |
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-2037931-A2 | PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS | Astex Therapeutics Limited (GB) | 2009-03-25 | — | — | EP | disclosed |
| WO-2007125310-A2 | PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |