Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.77 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.66 |
| ▸ | CTSD | P07339 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588555 | 1.00 | BACE1 (0.77) | BACE1BACE2CTSD | |
| SCHEMBL2586259 | 0.87 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL15703746 | 0.87 | BACE1 (0.59) | BACE1CTSD | |
| SCHEMBL360663 | 0.87 | BACE1 (1.00) | BACE1 | |
| SCHEMBL1173499 | 0.87 | BACE1 (1.00) | BACE1 | |
| SCHEMBL2591477 | 0.86 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL2584678 | 0.85 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL1173170 | 0.85 | BACE1 (0.79) | BACE1BACE2 | |
| SCHEMBL2586097 | 0.83 | BACE1 (0.69) | BACE1BACE2 | |
| SCHEMBL2592188 | 0.83 | BACE1 (0.78) | BACE1BACE2CTSD |
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 |