Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL5580037 | 0.91 | BACE1 (0.46) | BACE1BACE2CTSD | |
| SCHEMBL5117760 | 0.89 | BACE1 (0.50) | BACE1BACE2CTSD | |
| SCHEMBL5117751 | 0.89 | BACE1 (0.50) | BACE1BACE2CTSD | |
| SCHEMBL5118783 | 0.89 | BACE1 (0.52) | BACE1BACE2 | |
| SCHEMBL5579903 | 0.83 | BACE1 (0.48) | BACE1BACE2CTSD | |
| SCHEMBL5125085 | 0.83 | BACE1 (0.48) | BACE1BACE2CTSD | |
| SCHEMBL3354376 | 0.82 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL5125199 | 0.80 | BACE1 (0.51) | BACE1 | |
| SCHEMBL5125187 | 0.80 | BACE1 (0.51) | BACE1 | |
| SCHEMBL5130285 | 0.79 | BACE1 (0.48) | BACE1BACE2CTSD |
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-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |