Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.46 |
| ▸ | CTSD | P07339 | 8/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2284335 | 0.90 | BACE1 (0.53) | BACE1CTSDTAAR1KCNH2 | |
| SCHEMBL2284330 | 0.90 | BACE1 (0.53) | BACE1CTSDTAAR1KCNH2 | |
| SCHEMBL3398471 | 0.88 | BACE1 (0.43) | BACE1CTSDTAAR1KCNH2MAOB | |
| SCHEMBL3393576 | 0.86 | BACE1 (0.44) | BACE1CTSDTAAR1 | |
| SCHEMBL3399127 | 0.86 | BACE1 (0.54) | BACE1CTSDTAAR1 | |
| SCHEMBL3398703 | 0.85 | BACE1 (0.41) | BACE1CTSDTAAR1 | |
| SCHEMBL3399266 | 0.81 | BACE1 (0.39) | BACE1CTSDTAAR1 | |
| SCHEMBL2283398 | 0.80 | BACE1 (0.52) | BACE1CTSDTAAR1KCNH2 | |
| SCHEMBL2285097 | 0.79 | BACE1 (0.53) | BACE1CTSDTAAR1 | |
| SCHEMBL2285103 | 0.79 | BACE1 (0.53) | BACE1CTSDTAAR1 |
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-2245019-A1 | 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009103626-A1 | 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-27 | — | — | WO | disclosed |