Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.79 |
| ▸ | CTSD | P07339 | 7/20 | 0.79 |
| ▸ | CTSE | P14091 | 4/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL3969591 | 0.90 | BACE1 (0.83) | BACE1CTSDCTSE | |
| SCHEMBL2530167 | 0.89 | BACE1 (0.80) | BACE1CTSDCTSE | |
| SCHEMBL2532826 | 0.89 | BACE1 (0.84) | BACE1CTSDCTSE | |
| SCHEMBL3969588 | 0.89 | BACE1 (0.79) | BACE1CTSDCTSE | |
| SCHEMBL2529506 | 0.88 | BACE1 (1.00) | BACE1CTSDCTSE | |
| SCHEMBL2529961 | 0.88 | BACE1 (0.79) | BACE1CTSDCTSE | |
| SCHEMBL2529306 | 0.87 | BACE1 (0.78) | BACE1CTSDCTSE | |
| SCHEMBL2531228 | 0.87 | BACE1 (0.76) | BACE1CTSDCTSE | |
| SCHEMBL2529085 | 0.86 | BACE1 (0.75) | BACE1CTSDCTSE | |
| SCHEMBL2532593 | 0.86 | BACE1 (0.86) | BACE1CTSDCTSE |
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 |
|---|---|---|---|---|---|---|---|
| US-8039455-B2 | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2011-10-18 | — | — | US | claimed |
| US-8039455-B2 | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2011-10-18 | — | — | US | disclosed |