Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24696097 | 0.86 | NLRP3 (0.42) | ADORA2AADORA1ALDH1A1LMNAKDM4E | |
| SCHEMBL25861616 | 0.81 | NLRP3 (0.39) | NLRP3 | |
| SCHEMBL25859022 | 0.79 | EGLN1 (0.37) | NLRP3 | |
| SCHEMBL25856432 | 0.78 | NLRP3 (0.38) | NLRP3 | |
| SCHEMBL24695713 | 0.78 | ADORA2A (0.46) | ADORA2AADORA1ALDH1A1LMNAKDM4E | |
| SCHEMBL24695931 | 0.78 | ADORA2A (0.46) | ADORA2AADORA1ALDH1A1LMNAKDM4E | |
| SCHEMBL31314292 | 0.77 | NLRP3 (0.30) | KMT2AATMNLRP3 | |
| SCHEMBL31314251 | 0.76 | CACNA2D1 (0.33) | KMT2AATMTSHR | |
| SCHEMBL31495957 | 0.75 | NLRP3 (0.34) | NLRP3 | |
| SCHEMBL24695420 | 0.74 | NLRP3 (0.53) | ADORA2AADORA1KDM4ENLRP3 |
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-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 |