Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.67 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588183 | 0.96 | BACE1 (0.71) | BACE1APPCYP2D6BACE2 | |
| SCHEMBL1173322 | 0.88 | BACE1 (0.81) | BACE1APPBACE2 | |
| SCHEMBL2587828 | 0.85 | BACE1 (0.78) | BACE1APPBACE2 | |
| Formic Acid SCHEMBL2594420 | 0.85 | BACE1 (0.67) | BACE1BACE2 | |
| Formic Acid SCHEMBL15467301 | 0.85 | BACE1 (0.67) | BACE1BACE2 | |
| Formic Acid SCHEMBL2592575 | 0.84 | BACE1 (0.93) | BACE1APPBACE2 | |
| SCHEMBL1976782 | 0.84 | BACE1 (0.73) | BACE1CYP2D6BACE2 | |
| SCHEMBL15703753 | 0.82 | BACE1 (0.64) | BACE1APPBACE2 | |
| SCHEMBL2588794 | 0.82 | BACE1 (0.84) | BACE1APPCYP2D6BACE2 | |
| SCHEMBL2594490 | 0.81 | BACE1 (0.71) | BACE1BACE2 |
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 |