Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.52 |
| ▸ | CTSD | P07339 | 3/20 | 0.52 |
| ▸ | CTSB | P07858 | 12/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5389512 | 0.84 | BACE1 (0.54) | BACE1CTSDCTSB | |
| SCHEMBL6634194 | 0.83 | BACE1 (0.55) | BACE1CTSDCTSB | |
| SCHEMBL5374549 | 0.80 | BACE1 (0.49) | BACE1CTSDCTSB | |
| SCHEMBL5379633 | 0.80 | BACE1 (0.52) | BACE1CTSDCTSB | |
| SCHEMBL5377354 | 0.77 | BACE1 (0.64) | BACE1CTSDCTSB | |
| SCHEMBL3354643 | 0.77 | BACE1 (0.64) | BACE1CTSDCTSB | |
| SCHEMBL3354652 | 0.77 | BACE1 (0.64) | BACE1CTSDCTSB | |
| SCHEMBL5377346 | 0.77 | BACE1 (0.64) | BACE1CTSDCTSB | |
| SCHEMBL6703381 | 0.77 | BACE1 (0.48) | BACE1CTSDCTSB | |
| SCHEMBL6706451 | 0.77 | BACE1 (0.59) | BACE1CTSDCTSB |
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 |