Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.42 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL14165303 | 0.87 | BACE2 (0.44) | BACE2BACE1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1979221 | 0.87 | BACE2 (0.44) | BACE2BACE1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1980055 | 0.83 | BACE2 (0.36) | BACE2BACE1CYP3A4TSHR | |
| SCHEMBL1979176 | 0.80 | BACE2 (0.33) | BACE2BACE1MAPTHTT | |
| SCHEMBL13268467 | 0.79 | SLC6A2 (0.35) | BACE2BACE1TSHR | |
| SCHEMBL13278685 | 0.78 | BACE2 (0.44) | BACE2BACE1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1974303 | 0.74 | BACE1 (0.48) | BACE2BACE1 | |
| SCHEMBL1974300 | 0.74 | BACE1 (0.48) | BACE2BACE1 | |
| SCHEMBL14127483 | 0.74 | AKR1B1 (0.47) | BACE2BACE1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL13859233 | 0.73 | MAPT (0.43) | BACE2BACE1ALDH1A1VCAM1KMT2A |
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-2509965-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011069934-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | WO | disclosed |