Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.47 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | GPR34 | Q9UPC5 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3352697 | 0.87 | BACE1 (0.60) | BACE1BACE2 | |
| SCHEMBL3352702 | 0.87 | BACE1 (0.60) | BACE1BACE2 | |
| SCHEMBL6652109 | 0.83 | BACE1 (0.46) | BACE1BACE2 | |
| SCHEMBL3491851 | 0.79 | BACE1 (0.62) | BACE1BACE2 | |
| SCHEMBL3491855 | 0.79 | BACE1 (0.62) | BACE1BACE2 | |
| SCHEMBL3490228 | 0.77 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL3490225 | 0.77 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL6891579 | 0.74 | BACE1 (0.75) | BACE1BACE2 | |
| SCHEMBL6896158 | 0.73 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL3490902 | 0.73 | BACE1 (0.55) | BACE1BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |