Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.66 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.66 |
| ▸ | CTSD | P07339 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6675551 | 1.00 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL3353431 | 0.92 | BACE1 (0.75) | BACE1BACE2CTSD | |
| SCHEMBL3353424 | 0.92 | BACE1 (0.75) | BACE1BACE2CTSD | |
| SCHEMBL6649564 | 0.90 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL6649562 | 0.90 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL3351072 | 0.87 | BACE1 (0.87) | BACE1BACE2CTSD | |
| SCHEMBL3348486 | 0.86 | BACE1 (0.76) | BACE1BACE2CTSD | |
| SCHEMBL3348488 | 0.86 | BACE1 (0.76) | BACE1BACE2CTSD | |
| SCHEMBL3351396 | 0.84 | BACE1 (0.75) | BACE1BACE2CTSD | |
| SCHEMBL3351388 | 0.84 | BACE1 (0.75) | BACE1BACE2CTSD |
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 |