Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.37 |
| ▸ | CTSB | P07858 | 17/20 | 0.37 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579896 | 1.00 | BACE1 (0.37) | BACE1CTSBCTSD | |
| SCHEMBL3353663 | 0.82 | BACE1 (0.53) | BACE1CTSBCTSD | |
| SCHEMBL3353657 | 0.82 | BACE1 (0.53) | BACE1CTSBCTSD | |
| SCHEMBL5131817 | 0.78 | BACE1 (0.34) | BACE1CTSBCTSD | |
| SCHEMBL5579837 | 0.76 | BACE1 (0.37) | BACE1CTSBCTSD | |
| SCHEMBL5579831 | 0.76 | BACE1 (0.37) | BACE1CTSBCTSD | |
| SCHEMBL5124831 | 0.75 | BACE1 (0.39) | BACE1CTSBCTSD | |
| SCHEMBL5124825 | 0.75 | BACE1 (0.39) | BACE1CTSBCTSD | |
| SCHEMBL5130908 | 0.75 | BACE1 (0.42) | BACE1CTSBCTSD | |
| SCHEMBL5130902 | 0.75 | BACE1 (0.42) | 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 |