Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014209 | 0.88 | ROCK2 (0.42) | ROCK2CHRM5ROCK1HTR6 | |
| SCHEMBL1013491 | 0.88 | ROCK2 (0.42) | ROCK2CHRM5ROCK1HTR6 | |
| SCHEMBL1012488 | 0.84 | ROCK2 (0.44) | ROCK2CHRM5ROCK1HTR6 | |
| SCHEMBL1012489 | 0.84 | ROCK2 (0.44) | ROCK2CHRM5ROCK1HTR6 | |
| Hydrochloric Acid SCHEMBL1015820 | 0.83 | ROCK2 (0.43) | ROCK2CHRM5ROCK1HTR6 | |
| Hydrochloric Acid SCHEMBL1015819 | 0.83 | ROCK2 (0.43) | ROCK2CHRM5ROCK1HTR6 | |
| Trifluoroacetic Acid SCHEMBL4070356 | 0.76 | HTR6 (0.41) | ROCK2CHRM5HTR6CHRM1CHRM3 | |
| SCHEMBL1015718 | 0.72 | POLB (0.38) | HTR6 | |
| SCHEMBL13210994 | 0.71 | ROCK2 (0.42) | ROCK2CHRM5CHRM1CHRM3 | |
| SCHEMBL14197365 | 0.70 | ROCK2 (0.43) | ROCK2CHRM5ROCK1 |
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-2081890-B1 | ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-01-12 | — | — | EP | claimed |