Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 12/20 | 0.58 |
| ▸ | NLRP3 | Q96P20 | 12/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30054531 | 1.00 | IL1B (0.58) | IL1BNLRP3KCNH2TNF | |
| SCHEMBL30054108 | 1.00 | IL1B (0.58) | IL1BNLRP3KCNH2TNF | |
| SCHEMBL30055328 | 1.00 | IL1B (0.58) | IL1BNLRP3KCNH2TNF | |
| SCHEMBL24696095 | 1.00 | IL1B (0.58) | IL1BNLRP3KCNH2TNF | |
| SCHEMBL26438771 | 0.91 | IL1B (0.55) | IL1BNLRP3KCNH2TNF | |
| SCHEMBL30295387 | 0.90 | IL1B (0.73) | IL1BNLRP3 | |
| SCHEMBL26092859 | 0.90 | IL1B (0.73) | IL1BNLRP3 | |
| SCHEMBL29975639 | 0.90 | IL1B (0.73) | IL1BNLRP3 | |
| SCHEMBL25856246 | 0.90 | IL1B (0.73) | IL1BNLRP3 | |
| Hydrochloric Acid SCHEMBL29155891 | 0.89 | IL1B (0.72) | IL1BNLRP3 |
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 |