Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.73 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.73 |
| ▸ | CTSD | P07339 | 3/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL5388310 | 1.00 | BACE1 (0.73) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3350078 | 0.99 | BACE1 (0.72) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3350080 | 0.99 | BACE1 (0.72) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3349547 | 0.99 | BACE1 (0.72) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3349552 | 0.99 | BACE1 (0.72) | BACE1BACE2CTSD | |
| SCHEMBL5379837 | 0.95 | BACE1 (0.78) | BACE1BACE2CTSD | |
| SCHEMBL5379841 | 0.95 | BACE1 (0.78) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3353994 | 0.95 | BACE1 (0.77) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3353996 | 0.95 | BACE1 (0.77) | BACE1BACE2CTSD | |
| SCHEMBL5373705 | 0.92 | BACE1 (0.73) | 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 | claimed |