Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 13/20 | 0.48 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19413511 | 0.89 | ATIC (0.50) | ATICESR1CYP19A1HTR6 | |
| SCHEMBL19242521 | 0.81 | ATIC (0.55) | ATICESR1CYP19A1 | |
| SCHEMBL17801561 | 0.80 | ATIC (0.51) | ATICESR1CYP19A1 | |
| SCHEMBL17808372 | 0.79 | ATIC (0.55) | ATICESR1 | |
| SCHEMBL17801466 | 0.77 | ATIC (0.48) | ATICESR1CYP19A1HTR6 | |
| SCHEMBL17801469 | 0.77 | ATIC (0.48) | ATICESR1CYP19A1HTR6 | |
| SCHEMBL17808601 | 0.73 | ATIC (0.44) | ATICESR1CYP19A1 | |
| SCHEMBL19413517 | 0.65 | ATIC (0.53) | ATIC | |
| SCHEMBL31701951 | 0.64 | ATIC (0.50) | ATICESR1CYP19A1 | |
| SCHEMBL19205932 | 0.62 | ATIC (0.65) | ATIC |
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 |