Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.42 |
| ▸ | CTSB | P07858 | 18/20 | 0.42 |
| ▸ | CTSD | P07339 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5126658 | 0.84 | BACE1 (0.43) | BACE1CTSBCTSD | |
| SCHEMBL5126663 | 0.84 | BACE1 (0.43) | BACE1CTSBCTSD | |
| SCHEMBL5125076 | 0.83 | BACE1 (0.40) | BACE1CTSBCTSD | |
| SCHEMBL5124365 | 0.82 | POLB (0.43) | BACE1CTSBCTSD | |
| SCHEMBL5124372 | 0.82 | POLB (0.43) | BACE1CTSBCTSD | |
| SCHEMBL3346936 | 0.82 | BACE1 (0.56) | BACE1CTSBCTSD | |
| SCHEMBL3346927 | 0.82 | BACE1 (0.56) | BACE1CTSBCTSD | |
| SCHEMBL5124854 | 0.79 | BACE1 (0.45) | BACE1CTSBCTSD | |
| SCHEMBL5124858 | 0.79 | BACE1 (0.45) | BACE1CTSBCTSD | |
| SCHEMBL5579567 | 0.79 | BACE1 (0.41) | BACE1CTSBCTSD |
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 |