Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.39 |
| ▸ | CTSD | P07339 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 12/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13306617 | 1.00 | BACE1 (0.39) | BACE1CTSDCTSB | |
| SCHEMBL13306615 | 0.84 | PSEN1 (0.46) | BACE1CTSDCTSB | |
| SCHEMBL14577496 | 0.84 | PSEN1 (0.46) | BACE1CTSDCTSB | |
| Trifluoroacetic Acid SCHEMBL5105053 | 0.84 | CTSB (0.35) | BACE1CTSB | |
| SCHEMBL5579820 | 0.83 | BACE1 (0.41) | BACE1CTSDCTSB | |
| SCHEMBL3490006 | 0.80 | PTGDR2 (0.40) | BACE1CTSDCTSB | |
| SCHEMBL5126767 | 0.80 | BACE1 (0.49) | BACE1CTSD | |
| SCHEMBL14131410 | 0.80 | BACE1 (0.52) | BACE1CTSDCTSB | |
| SCHEMBL5124865 | 0.79 | BACE1 (0.43) | BACE1CTSDCTSB | |
| SCHEMBL5124821 | 0.78 | BACE1 (0.39) | BACE1CTSDCTSB |
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 |