Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17437880 | 0.83 | ROCK2 (0.54) | ROCK2 | |
| SCHEMBL19128592 | 0.80 | ROCK2 (0.41) | ROCK2KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL23683866 | 0.78 | ROCK2 (0.50) | ROCK2 | |
| SCHEMBL20646831 | 0.77 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL17452656 | 0.77 | ROCK2 (0.40) | ROCK2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL17452627 | 0.76 | ROCK2 (0.52) | ROCK2 | |
| SCHEMBL17454424 | 0.75 | MAPT (0.46) | ROCK2KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL20646828 | 0.74 | ROCK2 (0.40) | ROCK2 | |
| SCHEMBL23889026 | 0.74 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL20647162 | 0.74 | ROCK2 (0.37) | ROCK2 |
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 |