Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30283845 | 0.92 | ROCK1 (0.36) | ROCK1ROCK2BRD4PARP1CDK2 | |
| SCHEMBL30283853 | 0.88 | ROCK1 (0.39) | ROCK1ESR1ESR2FFAR1KDM4E | |
| SCHEMBL30283726 | 0.81 | ROCK1 (0.35) | ROCK1ALDH1A1ROCK2BRD4CDK2 | |
| SCHEMBL30283640 | 0.81 | ROCK1 (0.47) | ROCK1KDM4EUSP2ALDH1A1HPGD | |
| SCHEMBL30283286 | 0.81 | PRKCB (0.46) | ROCK1KDM4EUSP2ALDH1A1HPGD | |
| SCHEMBL30283597 | 0.78 | HTR7 (0.45) | ROCK1DAOPRKCBPRKCAPRMT5 | |
| SCHEMBL30283579 | 0.76 | GPR3 (0.42) | ROCK1ESR1ESR2ALDH1A1BRD4 | |
| SCHEMBL30228486 | 0.75 | KCNA3 (0.49) | ESR1ESR2 | |
| SCHEMBL30283324 | 0.75 | KDM4E (0.52) | ROCK1ESR1ESR2KDM4EUSP2 | |
| SCHEMBL30283346 | 0.73 | PARP1 (0.58) | ROCK1KDM4EBRD4PRMT5WDR77 |
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-2023034344-A1 | ISOQUINOLINONES AND QUINOLINONES AS MODULATORS OF POLRMT | PRETZEL THERAPEUTICS, INC. (US) | 2023-03-09 | — | — | WO | disclosed |