Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.54 |
| ▸ | BACE2 | Q9Y5Z0 | 12/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL18567540 | 0.91 | BACE1 (0.52) | BACE1BACE2 | |
| SCHEMBL15693494 | 0.84 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL18567383 | 0.84 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL18567369 | 0.83 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL17149012 | 0.80 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL20119283 | 0.78 | BACE1 (0.52) | BACE1BACE2 | |
| SCHEMBL18567802 | 0.76 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL18567769 | 0.75 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL13466548 | 0.75 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL18568043 | 0.74 | BACE1 (0.50) | 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 |