Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.48 |
| ▸ | CTSD | P07339 | 4/20 | 0.46 |
| ▸ | CTSB | P07858 | 13/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3351683 | 0.79 | BACE1 (0.67) | BACE1CTSDCTSB | |
| SCHEMBL3351689 | 0.79 | BACE1 (0.67) | BACE1CTSDCTSB | |
| SCHEMBL4262818 | 0.76 | BACE1 (0.52) | BACE1CTSDCTSB | |
| SCHEMBL6649992 | 0.76 | BACE1 (0.49) | BACE1CTSDCTSB | |
| SCHEMBL3162119 | 0.75 | CTSD (0.70) | BACE1CTSD | |
| SCHEMBL3162112 | 0.75 | CTSD (0.70) | BACE1CTSD | |
| SCHEMBL6647483 | 0.75 | BACE1 (0.47) | BACE1CTSDCTSB | |
| SCHEMBL5369030 | 0.75 | BACE1 (0.39) | BACE1CTSD | |
| SCHEMBL5377725 | 0.73 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL6895439 | 0.73 | BACE1 (0.41) | 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 |