Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20646901 | 1.00 | DGAT1 (0.45) | DGAT1MKNK1MKNK2SLC6A4ROCK2 | |
| SCHEMBL6446339 | 0.84 | MKNK1 (0.58) | DGAT1MKNK1MKNK2SLC6A4 | |
| SCHEMBL19128145 | 0.83 | DGAT1 (0.43) | DGAT1MKNK1MKNK2SLC6A4ROCK2 | |
| SCHEMBL20646841 | 0.81 | PDE4B (0.48) | MKNK1MKNK2ROCK2 | |
| SCHEMBL20646728 | 0.80 | KCNH2 (0.53) | MKNK1MKNK2ROCK2 | |
| SCHEMBL19151444 | 0.80 | KCNH2 (0.53) | MKNK1MKNK2ROCK2 | |
| SCHEMBL20563399 | 0.78 | NR4A2 (0.48) | SLC6A4 | |
| SCHEMBL23889011 | 0.77 | PARP1 (0.43) | SLC6A4 | |
| SCHEMBL23889009 | 0.77 | PARP1 (0.43) | SLC6A4 | |
| SCHEMBL23889013 | 0.77 | PARP1 (0.43) | SLC6A4 |
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-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |