Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.55 |
| ▸ | PRKACA | P17612 | 3/20 | 0.55 |
| ▸ | GSK3A | P49840 | 3/20 | 0.55 |
| ▸ | PRKX | P51817 | 3/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | PRKCG | P05129 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | AKT2 | P31751 | 2/20 | 0.40 |
| ▸ | CLK2 | P49760 | 2/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.40 |
| ▸ | NEK4 | P51957 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26464682 | 1.00 | ROCK1 (0.55) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL26464683 | 1.00 | ROCK1 (0.55) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL26464563 | 0.86 | ROCK2 (0.52) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL26464564 | 0.86 | ROCK2 (0.52) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL26464562 | 0.86 | ROCK2 (0.52) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL8671154 | 0.84 | ALDH1A1 (0.50) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL14277949 | 0.83 | ROCK2 (0.47) | ROCK1ROCK2ACACBTP53TSHR | |
| SCHEMBL14393511 | 0.83 | PRKACA (0.54) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL14393691 | 0.83 | PRKACA (0.54) | ROCK1PRKACAGSK3APRKXCLK4 | |
| SCHEMBL10061708 | 0.83 | ROCK2 (0.47) | ROCK1ROCK2ACACBTP53TSHR |
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-2023072974-A1 | TRICYCLIC HETEROCYCLES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | WO | disclosed |