Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL19725863 | 0.90 | BACE1 (0.38) | BACE1BACE2FFAR4LMNANPC1 | |
| SCHEMBL22239134 | 0.89 | BACE1 (0.37) | BACE1BACE2FFAR4LMNANPC1 | |
| SCHEMBL19725798 | 0.87 | BACE1 (0.49) | BACE1BACE2FFAR4LMNA | |
| SCHEMBL17794267 | 0.85 | BACE1 (0.35) | BACE1BACE2 | |
| SCHEMBL15768807 | 0.85 | BACE1 (0.36) | BACE1BACE2LMNA | |
| SCHEMBL15798977 | 0.85 | BACE1 (0.36) | BACE1BACE2LMNA | |
| SCHEMBL17794230 | 0.81 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL19868234 | 0.80 | BACE1 (0.43) | BACE1BACE2FFAR4LMNA | |
| SCHEMBL19868130 | 0.80 | BACE1 (0.43) | BACE1BACE2FFAR4LMNA | |
| SCHEMBL1935415 | 0.80 | BACE1 (0.43) | BACE1BACE2FFAR4LMNA |
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-3223820-B1 | 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2020-07-22 | — | — | EP | disclosed |