Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 20/20 | 0.51 |
| ▸ | TNF | P01375 | 3/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL25864733 | 0.82 | KDM4E (0.39) | IL1BTNFNLRP3 | |
| SCHEMBL24695405 | 0.81 | ALOX5AP (0.40) | IL1BTNFNLRP3 | |
| SCHEMBL22695042 | 0.79 | IL1B (0.57) | IL1BTNFNLRP3 | |
| SCHEMBL22670556 | 0.78 | IL1B (0.60) | IL1BTNFNLRP3 | |
| SCHEMBL22695045 | 0.77 | IL1B (0.61) | IL1BTNFNLRP3 | |
| SCHEMBL26093443 | 0.75 | ALOX5AP (0.36) | IL1BTNFNLRP3 | |
| SCHEMBL24695419 | 0.74 | IL1B (0.49) | IL1BTNFNLRP3 | |
| SCHEMBL22655138 | 0.74 | IL1B (0.57) | IL1BTNFNLRP3 | |
| SCHEMBL26434234 | 0.73 | IL1B (0.57) | IL1BTNF | |
| SCHEMBL31233716 | 0.72 | IL1B (0.51) | IL1BTNFNLRP3 |
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-2022253936-A1 | TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. | F. HOFFMANN-LA ROCHE AG (CH) | 2022-12-08 | — | — | WO | disclosed |