Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 13/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL17801466 | 1.00 | ATIC (0.48) | ATICESR1CYP19A1MAPTHTR6 | |
| SCHEMBL17801561 | 0.88 | ATIC (0.51) | ATICESR1CYP19A1MAPT | |
| SCHEMBL17808601 | 0.84 | ATIC (0.44) | ATICESR1CYP19A1 | |
| SCHEMBL19242535 | 0.83 | ATIC (0.59) | ATIC | |
| SCHEMBL19242521 | 0.81 | ATIC (0.55) | ATICESR1CYP19A1 | |
| SCHEMBL17808372 | 0.79 | ATIC (0.55) | ATICESR1MAPT | |
| SCHEMBL19413511 | 0.79 | ATIC (0.50) | ATICESR1CYP19A1HTR6 | |
| SCHEMBL20725868 | 0.77 | ATIC (0.48) | ATICESR1CYP19A1HTR6 | |
| SCHEMBL19205932 | 0.71 | ATIC (0.65) | ATIC | |
| SCHEMBL17808602 | 0.69 | ATIC (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3227279-A1 | 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 | Eli Lilly and Company (US) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016089670-A1 | 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 | ELI LILLY AND COMPANY (US) | 2016-06-09 | — | — | WO | disclosed |