Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 8/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 7/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 2/20 | 0.41 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131971 | 1.00 | IL1B (0.53) | IL1BNLRP3CHEK2CHEK1KCNH2 | |
| SCHEMBL29131905 | 0.95 | IL1B (0.59) | IL1BNLRP3CHEK2CHEK1KCNH2 | |
| SCHEMBL29131901 | 0.95 | IL1B (0.59) | IL1BNLRP3CHEK2CHEK1KCNH2 | |
| SCHEMBL29131864 | 0.88 | IL1B (0.51) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL29131862 | 0.88 | IL1B (0.51) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL28961895 | 0.87 | IL1B (0.61) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL29275955 | 0.87 | IL1B (0.61) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL26615045 | 0.87 | SMO (0.52) | SMOTEAD1 | |
| SCHEMBL26615052 | 0.87 | SMO (0.52) | SMOTEAD1 | |
| SCHEMBL28961890 | 0.86 | IL1B (0.68) | IL1BNLRP3CHEK2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116969920-A | Fused pyridazine derivative, preparation method and medical application thereof | 上海辉启生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |