Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21946607 | 0.82 | ROCK2 (0.38) | ROCK2HDAC3HDAC6 | |
| SCHEMBL19128171 | 0.82 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL20646992 | 0.81 | ROCK2 (0.36) | ROCK2HDAC3HDAC6 | |
| SCHEMBL21946609 | 0.81 | ROCK2 (0.36) | ROCK2HDAC3HDAC6 | |
| SCHEMBL23888984 | 0.80 | CNR2 (0.35) | ROCK2MCHR1 | |
| SCHEMBL20654134 | 0.80 | ROCK2 (0.49) | ROCK2 | |
| SCHEMBL23889186 | 0.80 | ROCK2 (0.36) | ROCK2 | |
| SCHEMBL19150022 | 0.79 | ERN1 (0.42) | ROCK2MCHR1 | |
| SCHEMBL23888947 | 0.74 | MAP4K1 (0.33) | ROCK2MCHR1 | |
| SCHEMBL20211534 | 0.73 | 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 |