Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 8/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355703 | 0.89 | ROCK2 (0.44) | ROCK2GAA | |
| SCHEMBL22355676 | 0.86 | ROCK2 (0.43) | ROCK2SCN5ASCN9ASSTR5 | |
| SCHEMBL22355710 | 0.84 | ROCK2 (0.34) | ROCK2SCN5ASCN9ASSTR5 | |
| SCHEMBL22355671 | 0.83 | ITGB3 (0.37) | LIPEOTUD7B | |
| SCHEMBL22355688 | 0.81 | ROCK2 (0.42) | ROCK2 | |
| SCHEMBL22355704 | 0.81 | ROCK2 (0.36) | ROCK2LIPE | |
| SCHEMBL22355678 | 0.80 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL21503719 | 0.79 | ROCK2 (0.37) | ROCK2SCN5ASCN9AALDH1A1KDM4E | |
| SCHEMBL22355681 | 0.79 | PPIB (0.37) | KDM4ESSTR5 | |
| SCHEMBL22355685 | 0.77 | ROCK2 (0.50) | ROCK2SCN5ASCN9AMAPT |
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-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |