Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | CTSD | P07339 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377267 | 1.00 | BACE1 (0.53) | BACE1CTSDCYP3A4 | |
| SCHEMBL3348687 | 0.81 | BACE1 (0.64) | BACE1CTSDCYP3A4 | |
| SCHEMBL3348682 | 0.81 | BACE1 (0.64) | BACE1CTSDCYP3A4 | |
| Trifluoroacetic Acid SCHEMBL5378462 | 0.81 | BACE1 (0.53) | BACE1CTSDCYP3A4 | |
| SCHEMBL5383188 | 0.81 | BACE1 (0.47) | BACE1CTSD | |
| SCHEMBL5383184 | 0.81 | BACE1 (0.47) | BACE1CTSD | |
| SCHEMBL3351633 | 0.80 | BACE1 (0.52) | BACE1CTSDCYP3A4 | |
| SCHEMBL3171203 | 0.79 | BACE1 (0.75) | BACE1CTSDCYP3A4 | |
| SCHEMBL3500782 | 0.79 | BACE1 (0.75) | BACE1CTSDCYP3A4 | |
| SCHEMBL5579073 | 0.79 | BACE1 (0.69) | 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 |