Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3479431 | 1.00 | BACE1 (0.47) | BACE1MCHR1SLC2A1 | |
| SCHEMBL3479525 | 0.94 | BACE1 (0.49) | BACE1MCHR1 | |
| Trifluoroacetic Acid SCHEMBL3479500 | 0.90 | BACE1 (0.58) | BACE1 | |
| Trifluoroacetic Acid SCHEMBL3479506 | 0.90 | BACE1 (0.58) | BACE1 | |
| SCHEMBL3479509 | 0.84 | BACE1 (0.64) | BACE1 | |
| SCHEMBL3479630 | 0.84 | BACE1 (0.64) | BACE1 | |
| SCHEMBL3479463 | 0.84 | BACE1 (0.64) | BACE1 | |
| Trifluoroacetic Acid SCHEMBL3479502 | 0.83 | BACE1 (0.40) | BACE1MCHR1SLC2A1 | |
| SCHEMBL3479550 | 0.81 | BACE1 (0.54) | BACE1MCHR1 | |
| Trifluoroacetic Acid SCHEMBL3479447 | 0.81 | BACE1 (0.48) | BACE1SLC2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2063889-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |