Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21947307 | 0.88 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL21947306 | 0.85 | ROCK2 (0.39) | ROCK2TSHR | |
| SCHEMBL19128735 | 0.84 | SPR (0.41) | ROCK2 | |
| SCHEMBL20647162 | 0.83 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL20647140 | 0.83 | TSHR (0.43) | SCN9ATSHR | |
| SCHEMBL19128205 | 0.81 | SCN9A (0.43) | SCN9ATSHR | |
| SCHEMBL20647139 | 0.80 | IRAK4 (0.42) | SCN9ATSHR | |
| SCHEMBL21948590 | 0.70 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL21948600 | 0.69 | ROCK2 (0.49) | ROCK2 | |
| SCHEMBL21947213 | 0.67 | PLAT (0.39) | 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 |