Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 7/20 | 0.45 |
| ▸ | IL1B | P01584 | 15/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26436547 | 0.94 | NLRP3 (0.45) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26437115 | 0.93 | NLRP3 (0.44) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26436529 | 0.91 | NLRP3 (0.56) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL30379825 | 0.90 | IL1B (0.52) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26089279 | 0.90 | IL1B (0.52) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26089292 | 0.90 | IL1B (0.52) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26437132 | 0.88 | NLRP3 (0.47) | NLRP3ROCK2 | |
| SCHEMBL26435647 | 0.88 | IL1B (0.55) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL26436334 | 0.88 | NLRP3 (0.46) | NLRP3IL1BKCNH2TNFROCK2 | |
| SCHEMBL26436552 | 0.87 | NLRP3 (0.44) | NLRP3IL1BKCNH2TNFROCK2 |
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-2023066377-A1 | NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 索智生物科技（浙江）有限公司 | 2023-04-27 | — | — | WO | disclosed |