Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | PDE5A | O76074 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13041181 | 0.78 | PDE5A (0.42) | SLC6A4SLC6A2SLC6A3PDE5A | |
| SCHEMBL13041179 | 0.76 | RORC (0.49) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3736399 | 0.76 | RORC (0.49) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3734998 | 0.75 | PDE4B (0.58) | SLC6A4SLC6A2SLC6A3PDE5A | |
| SCHEMBL13078101 | 0.75 | PDE4B (0.58) | SLC6A4SLC6A2SLC6A3PDE5A | |
| SCHEMBL15998577 | 0.72 | BACE1 (0.53) | SLC6A4SLC6A2SLC6A3PDE5ABACE1 | |
| SCHEMBL2037501 | 0.64 | PDE5A (0.51) | SLC6A3PDE5A | |
| SCHEMBL29788175 | 0.64 | PDE5A (0.51) | SLC6A3PDE5A | |
| SCHEMBL2037500 | 0.64 | PDE5A (0.51) | SLC6A3PDE5A | |
| SCHEMBL13041182 | 0.62 | BACE1 (0.38) | SLC6A4SLC6A2SLC6A3PDE5ABACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | disclosed |