Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.36 |
| ▸ | CTSD | P07339 | 11/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5369028 | 0.88 | BACE1 (0.40) | BACE1BACE2CTSD | |
| SCHEMBL5219187 | 0.85 | SIGMAR1 (0.43) | BACE1 | |
| SCHEMBL5219195 | 0.85 | SIGMAR1 (0.43) | BACE1 | |
| SCHEMBL5377720 | 0.80 | BACE1 (0.34) | BACE1CTSD | |
| SCHEMBL6895437 | 0.80 | BACE1 (0.34) | BACE1CTSD | |
| SCHEMBL5375739 | 0.79 | BACE1 (0.54) | BACE1CTSD | |
| SCHEMBL5223710 | 0.78 | BACE1 (0.57) | BACE1BACE2CTSD | |
| SCHEMBL5223705 | 0.78 | BACE1 (0.57) | BACE1BACE2CTSD | |
| SCHEMBL5379624 | 0.78 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL5372919 | 0.78 | BACE1 (0.41) | BACE1CTSD |
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-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |