Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7996771 | 0.87 | — | — | |
| SCHEMBL12946980 | 0.86 | BACE1 (0.35) | BACE1 | |
| SCHEMBL12916852 | 0.86 | BACE1 (0.35) | BACE1 | |
| SCHEMBL12916851 | 0.85 | BACE1 (0.43) | BACE1 | |
| SCHEMBL12946975 | 0.85 | BACE1 (0.43) | BACE1 | |
| SCHEMBL12599938 | 0.84 | — | — | |
| SCHEMBL12946976 | 0.84 | BACE1 (0.43) | BACE1CYP3A4 | |
| SCHEMBL12916849 | 0.84 | BACE1 (0.43) | BACE1CYP3A4 | |
| SCHEMBL12649654 | 0.80 | GRM5 (0.36) | BACE1 | |
| SCHEMBL8002607 | 0.80 | RORC (0.36) | — |
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-2283016-B1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2014-09-24 | — | — | EP | disclosed |