Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.55 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2021554 | 0.92 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL12578561 | 0.92 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL12578732 | 0.92 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL2021556 | 0.92 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL14350445 | 0.92 | BACE1 (0.56) | BACE1BACE2 | |
| Trifluoroacetic Acid SCHEMBL2026109 | 0.89 | BACE1 (0.55) | BACE1BACE2 | |
| Trifluoroacetic Acid SCHEMBL2026107 | 0.89 | BACE1 (0.55) | BACE1BACE2 | |
| SCHEMBL14350443 | 0.88 | BACE1 (0.53) | BACE1BACE2HDAC1 | |
| SCHEMBL12578735 | 0.85 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL12578738 | 0.84 | BACE1 (0.52) | BACE1BACE2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740581-B1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-1740581-A4 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1740581-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER\"S DISEASE | Merck and Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103043-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |