Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 13/20 | 0.51 |
| ▸ | IL1B | P01584 | 11/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 2/20 | 0.41 |
| ▸ | CAMK2D | Q13557 | 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 | |
|---|---|---|---|---|
| SCHEMBL25300069 | 1.00 | NLRP3 (0.51) | NLRP3IL1BKCNH2TNFCAMK2D | |
| SCHEMBL30517832 | 0.86 | NLRP3 (0.57) | NLRP3IL1BKCNH2TNFCAMK2D | |
| SCHEMBL25519368 | 0.86 | NLRP3 (0.57) | NLRP3IL1BKCNH2TNFCAMK2D | |
| SCHEMBL25303253 | 0.83 | NLRP3 (0.55) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL25254731 | 0.83 | NLRP3 (0.55) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL29030489 | 0.81 | IL1B (0.48) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL25304051 | 0.81 | IL1B (0.48) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL22655051 | 0.80 | IL1B (0.65) | NLRP3IL1B | |
| SCHEMBL22655048 | 0.80 | IL1B (0.65) | NLRP3IL1B | |
| SCHEMBL31057218 | 0.80 | IL1B (0.49) | NLRP3IL1BKCNH2TNF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |
| CN-116410140-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-07-11 | — | — | CN | disclosed |