Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 4/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2557900 | 0.89 | BACE1 (0.36) | BACE1APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL449162 | 0.87 | BACE1 (0.46) | BACE1APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2566485 | 0.84 | BACE1 (0.36) | BACE1APPCTSDMAPKAPK2 | |
| SCHEMBL447340 | 0.84 | BACE1 (0.45) | BACE1CYP3A4CYP2C9CTSD | |
| SCHEMBL446250 | 0.78 | BACE1 (0.42) | BACE1CTSD | |
| SCHEMBL447030 | 0.75 | BACE1 (0.49) | BACE1APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL446897 | 0.71 | BACE1 (0.43) | BACE1APPCTSD | |
| SCHEMBL450426 | 0.71 | BACE1 (0.45) | BACE1APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL447848 | 0.70 | BACE1 (0.59) | BACE1APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15264508 | 0.67 | BACE1 (0.67) | BACE1BACE2 |
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-2011123674-A1 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2011-10-06 | — | — | WO | disclosed |