Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.55 |
| ▸ | CTSD | P07339 | 13/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368986 | 1.00 | BACE1 (0.55) | BACE1CTSDCYP3A4 | |
| SCHEMBL5374427 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL5374434 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL5378038 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL5378030 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL3025779 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL3025782 | 0.90 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| SCHEMBL5388228 | 0.88 | BACE1 (0.52) | BACE1CTSDCYP3A4 | |
| SCHEMBL5578999 | 0.88 | BACE1 (0.70) | BACE1CTSDCYP3A4 | |
| SCHEMBL5388232 | 0.88 | BACE1 (0.52) | BACE1CTSDCYP3A4 |
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 |