Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 3/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESRRA | P11474 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 4/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | FPR3 | P25089 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL25315090 | 0.85 | ACACB (0.47) | ROCK2ITGB3ITGA2BALDH1A1MAPT | |
| SCHEMBL18291721 | 0.81 | ALOX5AP (0.40) | ITGB3ITGA2BUSP30ALDH1A1LMNA | |
| SCHEMBL21877081 | 0.81 | RORC (0.47) | ROCK2RORCESRRBESR1ESRRA | |
| SCHEMBL10111315 | 0.79 | ITGB3 (0.54) | ITGB3ITGA2BUSP30GPR119HDAC1 | |
| SCHEMBL23539079 | 0.78 | GPR119 (0.49) | RORCESRRBESR1ESRRAESRRG | |
| SCHEMBL28950249 | 0.76 | ROCK2 (0.60) | ROCK2RORCESRRBESR1ESRRA | |
| SCHEMBL1206883 | 0.76 | ALDH1A1 (0.47) | ROCK2RORCESRRBESR1ESRRA | |
| SCHEMBL289645 | 0.75 | ITGB3 (0.55) | ITGB3ITGA2BGPR119HDAC1 | |
| SCHEMBL21753329 | 0.75 | ACACA (0.53) | ITGB3ITGA2BALDH1A1GPR119 | |
| SCHEMBL19586512 | 0.75 | ROCK2 (0.38) | ROCK2RORCITGB3ITGA2BESRRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109661396-B | Spiro-fused cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2022-07-01 | — | — | CN | disclosed |