Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.49 |
| ▸ | GRM5 | P41594 | 5/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL13467022 | 1.00 | BACE1 (0.49) | BACE1GRM5TRPV3KCNH2 | |
| SCHEMBL15693547 | 0.93 | BACE1 (0.48) | BACE1GRM5 | |
| SCHEMBL18567421 | 0.90 | BACE1 (0.63) | BACE1TRPV3 | |
| SCHEMBL13467014 | 0.90 | BACE1 (0.63) | BACE1TRPV3 | |
| SCHEMBL18567441 | 0.78 | BACE1 (0.40) | BACE1 | |
| SCHEMBL13466086 | 0.77 | BACE1 (0.39) | BACE1 | |
| SCHEMBL15693452 | 0.77 | BACE1 (0.56) | BACE1 | |
| SCHEMBL13467260 | 0.77 | BACE1 (0.56) | BACE1 | |
| SCHEMBL13467261 | 0.77 | BACE1 (0.39) | BACE1 | |
| SCHEMBL18567438 | 0.74 | BACE1 (0.39) | BACE1GRM5TRPV3 |
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 |