Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13466841 | 0.83 | BACE1 (0.64) | BACE1BACE2 | |
| SCHEMBL18567383 | 0.78 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL18567385 | 0.76 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL18567369 | 0.76 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL18568048 | 0.75 | BACE1 (0.50) | BACE1BACE2 | |
| SCHEMBL18567769 | 0.73 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL13466601 | 0.72 | BACE1 (0.63) | BACE1BACE2 | |
| SCHEMBL18567414 | 0.72 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL18567390 | 0.72 | BACE1 (0.49) | BACE1BACE2HDAC6 | |
| SCHEMBL13466595 | 0.72 | BACE1 (0.37) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2697210-B1 | 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |