Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19643674 | 0.89 | ROCK2 (0.56) | ROCK2TP53ADORA3PIK3R1PIK3CA | |
| SCHEMBL19643570 | 0.89 | ROCK2 (0.58) | ROCK2TP53ADORA3PIK3R1PIK3CA | |
| SCHEMBL19644071 | 0.88 | ROCK2 (0.72) | ROCK2TP53ADORA3PIK3R1PIK3CA | |
| SCHEMBL19643781 | 0.86 | ROCK2 (0.67) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19644451 | 0.84 | ROCK2 (0.51) | ROCK2TP53ADORA3PIK3R1PIK3CA | |
| SCHEMBL19643227 | 0.81 | ROCK2 (0.50) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19643602 | 0.77 | ROCK2 (0.60) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19643876 | 0.73 | ROCK2 (0.84) | ROCK2 | |
| SCHEMBL19643173 | 0.72 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL19643096 | 0.71 | ROCK2 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| CN-109153663-A | Triazolones and Tetrazolones as ROCK Inhibitors | 百时美施贵宝公司 | 2019-01-04 | — | — | CN | disclosed |