Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454381 | 0.94 | ROCK2 (0.51) | ROCK2PDE2APDE3APDE10AALDH1A1 | |
| SCHEMBL19128497 | 0.90 | ROCK2 (0.45) | ROCK2MAOBPDE2APTGDR2 | |
| SCHEMBL20646991 | 0.90 | ROCK2 (0.45) | ROCK2MAOBPDE2APDE3APDE10A | |
| SCHEMBL21947339 | 0.89 | ROCK2 (0.44) | ROCK2MAOBPDE2APDE3APDE10A | |
| SCHEMBL17453578 | 0.86 | ROCK2 (0.42) | ROCK2PDE2APDE3APDE10AALDH1A1 | |
| SCHEMBL23889076 | 0.85 | ROCK2 (0.41) | ROCK2PDE2APDE3APDE10AALDH1A1 | |
| SCHEMBL19128857 | 0.84 | ROCK2 (0.49) | ROCK2PDE2APDE3APDE10AL3MBTL1 | |
| SCHEMBL23889045 | 0.84 | ROCK2 (0.42) | ROCK2ALDH1A1SMN1; SMN2L3MBTL1PPARD | |
| SCHEMBL24247723 | 0.83 | ROCK2 (0.40) | ROCK2PDE2APDE3APDE10AALDH1A1 | |
| SCHEMBL20654123 | 0.83 | ROCK2 (0.49) | ROCK2PDE2APDE3APDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |