Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.49 |
| ▸ | CTSD | P07339 | 9/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4218559 | 1.00 | BACE1 (0.49) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4218447 | 0.94 | BACE1 (0.51) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4204587 | 0.94 | BACE1 (0.51) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4219051 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3508855 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3511559 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2 | |
| SCHEMBL3509365 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4208740 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3509801 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3510513 | 0.93 | BACE1 (0.48) | BACE1CTSDBACE2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7504420-B2 | Compounds which inhibit beta-secretase activity and methods of use | COMENTIS, INC. (US) | 2009-03-17 | — | — | US | claimed |