Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 1.00 |
| ▸ | CTSD | P07339 | 4/20 | 0.39 |
| ▸ | REN | P00797 | 3/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14189407 | 1.00 | BACE1 (1.00) | BACE1CTSDRENITGB1ITGA2 | |
| SCHEMBL14189403 | 0.95 | BACE1 (0.90) | BACE1CTSDRENITGB1ITGA2 | |
| SCHEMBL8318007 | 0.95 | BACE1 (0.90) | BACE1CTSDRENITGB1ITGA2 | |
| SCHEMBL14215991 | 0.87 | BACE1 (0.77) | BACE1CTSDREN | |
| SCHEMBL8322958 | 0.87 | BACE1 (0.77) | BACE1CTSDREN | |
| SCHEMBL14189400 | 0.87 | BACE1 (0.77) | BACE1CTSDREN | |
| SCHEMBL14732466 | 0.84 | BACE1 (0.73) | BACE1CTSDREN | |
| SCHEMBL8320425 | 0.84 | BACE1 (0.73) | BACE1CTSDREN | |
| SCHEMBL14189401 | 0.84 | BACE1 (0.73) | BACE1CTSDREN | |
| SCHEMBL14732456 | 0.84 | BACE1 (0.73) | BACE1CTSDREN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583750-B1 | Macrocyclic beta-secretase inhibitors for treatment of Alzheimer's disease | MERCK SHARP & DOHME (US) | 2013-02-27 | — | — | EP | disclosed |
| US-7371853-B2 | Macrocyclic β-secretase inhibitors for the treatment of Alzheimer's disease | MERCK & CO., INC. (US) | 2008-05-13 | — | — | US | disclosed |
| WO-2004062625-A2 | MACROCYCLIC BETA-SECRETASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2004-07-29 | — | — | WO | disclosed |