Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | MMP17 | Q9ULZ9 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSE | P14091 | 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 | |
|---|---|---|---|---|
| SCHEMBL4440426 | 0.92 | PIK3C3 (0.36) | BACE1HCRTR1HCRTR2BACE2MMP2 | |
| SCHEMBL2962097 | 0.88 | MEN1 (0.42) | BACE1BACE2 | |
| SCHEMBL2962099 | 0.80 | MEN1 (0.43) | BACE1 | |
| SCHEMBL7549879 | 0.79 | CDK1 (0.40) | — | |
| SCHEMBL7562630 | 0.76 | TLR8 (0.40) | BACE1BACE2CTSD | |
| SCHEMBL13558717 | 0.71 | HCRTR1 (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL7570252 | 0.71 | BACE1 (0.43) | BACE1HCRTR1HCRTR2MMP2MMP3 | |
| SCHEMBL7532513 | 0.70 | BRD4 (0.42) | BACE1BACE2ADAMTS5CTSDCTSE | |
| SCHEMBL7536926 | 0.70 | BACE1 (0.53) | BACE1BACE2MMP2MMP3MMP9 | |
| SCHEMBL12174200 | 0.67 | BACE1 (0.41) | BACE1 |
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-2097387-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |