Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 13/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.33 |
| ▸ | CDC42 | P60953 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17808519 | 0.84 | ATIC (0.52) | ATICROCK2CDC42ROCK1PKN2 | |
| SCHEMBL20725824 | 0.82 | ATIC (0.46) | ATICROCK2 | |
| SCHEMBL20725823 | 0.78 | ATIC (0.44) | ATICROCK2 | |
| SCHEMBL20725771 | 0.75 | ATIC (0.46) | ATICROCK2 | |
| SCHEMBL20725855 | 0.75 | ATIC (0.46) | ATICROCK2 | |
| SCHEMBL17801520 | 0.70 | ATIC (0.53) | ATICROCK2CDC42ROCK1PKN2 | |
| SCHEMBL20725764 | 0.68 | ATIC (0.69) | ATICROCK2 | |
| SCHEMBL20725845 | 0.68 | ATIC (0.60) | ATICROCK2 | |
| SCHEMBL20725838 | 0.68 | ATIC (0.51) | ATICROCK2 | |
| SCHEMBL20725712 | 0.67 | ATIC (0.58) | ATICROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3227279-B1 | 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | LILLY CO ELI (US) | 2019-02-13 | — | — | EP | disclosed |