Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.91 |
| ▸ | CTSD | P07339 | 10/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL3177811 | 1.00 | BACE1 (0.91) | BACE1CTSDCYP3A4 | |
| SCHEMBL13349440 | 1.00 | BACE1 (0.91) | BACE1CTSDCYP3A4 | |
| SCHEMBL3177801 | 1.00 | BACE1 (0.91) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666447 | 0.95 | BACE1 (1.00) | BACE1CTSD | |
| SCHEMBL4697921 | 0.91 | BACE1 (1.00) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666960 | 0.88 | BACE1 (0.87) | BACE1CTSD | |
| SCHEMBL13349523 | 0.88 | BACE1 (0.78) | BACE1CTSDCYP3A4 | |
| SCHEMBL6041078 | 0.87 | BACE1 (0.85) | BACE1CTSD | |
| SCHEMBL3167544 | 0.87 | BACE1 (0.77) | BACE1CTSDCYP3A4 | |
| SCHEMBL4700493 | 0.87 | BACE1 (0.77) | BACE1CTSDCYP3A4 |
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-7244725-B2 | Acetyl 2-hydroxy-1, 3-diaminoalkanes | ELAN PHARMACEUTICALS, INC. (US) | 2007-07-17 | — | — | US | disclosed |