Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 16/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31379016 | 0.80 | SIRT6 (0.46) | SIRT6BACE1BACE2CYP2D6 | |
| SCHEMBL991368 | 0.80 | SIRT6 (0.46) | SIRT6BACE1BACE2CYP2D6 | |
| SCHEMBL15476644 | 0.79 | SIRT6 (0.62) | SIRT6BACE1BACE2CYP2D6CYP2C9 | |
| SCHEMBL991518 | 0.76 | MAPK1 (0.46) | SIRT6BACE1BACE2CYP2D6CYP2C9 | |
| SCHEMBL20685032 | 0.75 | BACE1 (0.43) | SIRT6BACE1BACE2CYP2D6CYP2C9 | |
| SCHEMBL23538019 | 0.73 | POLB (0.45) | SIRT6 | |
| SCHEMBL14387783 | 0.71 | SIRT6 (0.57) | SIRT6 | |
| SCHEMBL15705171 | 0.68 | NPC1 (0.62) | BACE1BACE2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL2108443 | 0.67 | SIRT6 (0.43) | SIRT6BACE1BACE2 | |
| SCHEMBL15751614 | 0.67 | SIRT6 (0.61) | SIRT6BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138293-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-10 | — | — | WO | disclosed |