Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.70 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.70 |
| ▸ | GRK2 | P25098 | 2/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.64 |
| ▸ | PRKCB | P05771 | 1/20 | 0.64 |
| ▸ | AKT1 | P31749 | 1/20 | 0.64 |
| ▸ | GRK5 | P34947 | 1/20 | 0.64 |
| ▸ | GRK6 | P43250 | 1/20 | 0.64 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.64 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.64 |
| ▸ | GRK7 | Q8WTQ7 | 1/20 | 0.64 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.62 |
| ▸ | CIT | O14578 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29791519 | 1.00 | ROCK2 (0.70) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL22944248 | 0.88 | ROCK1 (0.66) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL13362788 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL22944042 | 0.84 | GRK2 (0.65) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL29791503 | 0.84 | GRK2 (0.65) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL19643886 | 0.80 | ROCK2 (0.76) | ROCK2ROCK1TNIKCIT | |
| SCHEMBL22943962 | 0.79 | ROCK1 (0.67) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL17912990 | 0.79 | ROCK2 (0.68) | ROCK2ROCK1TNIKCITPRKCI | |
| SCHEMBL22944053 | 0.78 | GRK2 (0.76) | ROCK2ROCK1GRK2AURKAPRKCB | |
| SCHEMBL3384814 | 0.78 | GRK2 (1.00) | ROCK2ROCK1GRK2AURKAPRKCB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021018948-A1 | QUINAZOLIN-4-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-02-04 | — | — | WO | disclosed |