Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23888982 | 0.84 | ERN1 (0.34) | — | |
| SCHEMBL19128573 | 0.84 | CNR2 (0.39) | CNR2ROCK2 | |
| SCHEMBL20647111 | 0.84 | CNR2 (0.39) | CNR2ROCK2 | |
| SCHEMBL23889014 | 0.83 | ROCK2 (0.43) | CNR2ROCK2 | |
| SCHEMBL21948588 | 0.82 | CNR2 (0.38) | CNR2ROCK2 | |
| SCHEMBL20646833 | 0.81 | CNR2 (0.37) | CNR2ROCK2 | |
| SCHEMBL23888979 | 0.80 | ROCK2 (0.33) | ROCK2MCHR1 | |
| SCHEMBL20654134 | 0.76 | ROCK2 (0.49) | ROCK2 | |
| SCHEMBL23889021 | 0.74 | CNR2 (0.33) | CNR2ROCK2 | |
| SCHEMBL19150022 | 0.74 | ERN1 (0.42) | ROCK2MCHR1 |
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 |