Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 9/20 | 0.51 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL29131882 | 1.00 | IL1B (0.51) | IL1BKAT2BNLRP3KCNH2CHRM3 | |
| SCHEMBL30214099 | 0.89 | IL1B (0.50) | IL1BKAT2BNLRP3KCNH2CHRM3 | |
| SCHEMBL28961810 | 0.89 | IL1B (0.53) | IL1BNLRP3KCNH2 | |
| SCHEMBL28961814 | 0.89 | IL1B (0.53) | IL1BNLRP3KCNH2 | |
| SCHEMBL30214212 | 0.87 | IL1B (0.47) | IL1BKAT2BNLRP3KCNH2TNF | |
| Formic Acid SCHEMBL30994507 | 0.86 | IL1B (0.47) | IL1BKAT2BNLRP3KCNH2CHRM3 | |
| SCHEMBL29131858 | 0.84 | IL1B (0.43) | IL1BNLRP3KCNH2CHRM3 | |
| SCHEMBL29131855 | 0.84 | IL1B (0.43) | IL1BNLRP3KCNH2CHRM3 | |
| SCHEMBL27357230 | 0.83 | NLRP3 (0.47) | IL1BNLRP3KCNH2CRHR1TNF | |
| SCHEMBL29275687 | 0.80 | NLRP3 (0.44) | IL1BNLRP3KCNH2TNF |
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 |