Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.52 |
| ▸ | CTSD | P07339 | 12/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5387696 | 1.00 | BACE1 (0.52) | BACE1BACE2CTSDADRB1 | |
| SCHEMBL5389034 | 0.84 | BACE1 (0.49) | BACE1BACE2CTSD | |
| SCHEMBL5381670 | 0.84 | BACE1 (0.49) | BACE1BACE2CTSD | |
| SCHEMBL3352412 | 0.81 | BACE1 (0.54) | BACE1BACE2CTSDADRB1 | |
| SCHEMBL3353339 | 0.80 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL3353346 | 0.80 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL3902724 | 0.80 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL5373639 | 0.78 | FNTA (0.42) | BACE1BACE2CTSD | |
| SCHEMBL5373646 | 0.78 | FNTA (0.42) | BACE1BACE2CTSD | |
| SCHEMBL5369028 | 0.78 | BACE1 (0.40) | 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 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 |