Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.61 |
| ▸ | HTR1A | P08908 | 6/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31039739 | 0.95 | NLRP3 (0.56) | NLRP3HTR1ALTA4HJAK2JAK1 | |
| SCHEMBL31341807 | 0.81 | ROCK2 (0.45) | NLRP3KAT2BROCK2ROCK1 | |
| SCHEMBL27292457 | 0.80 | NLRP3 (0.55) | NLRP3KAT2BCCNT1CCNKCCNE1 | |
| SCHEMBL24695702 | 0.79 | CAMK2D (0.45) | NLRP3KAT2B | |
| SCHEMBL29159546 | 0.79 | CAMK2D (0.45) | NLRP3KAT2B | |
| SCHEMBL31039762 | 0.78 | NLRP3 (0.56) | NLRP3KAT2BCCNT1CCNKCCNE1 | |
| SCHEMBL31039735 | 0.78 | KAT2B (0.53) | NLRP3KAT2BCCNT1CCNKCCNE1 | |
| SCHEMBL31039719 | 0.77 | NLRP3 (0.41) | NLRP3KAT2BROCK2ROCK1 | |
| SCHEMBL31039741 | 0.77 | NLRP3 (0.41) | NLRP3KAT2BROCK2ROCK1 | |
| SCHEMBL27292536 | 0.76 | NLRP3 (1.00) | NLRP3LTA4HJAK2JAK1JAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4630417-A1 | NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION | F. Hoffmann-La Roche AG (CH) | 2025-10-15 | — | — | EP | disclosed |
| WO-2024121086-A1 | NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION | F. HOFFMANN-LA ROCHE AG (CH) | 2024-06-13 | — | — | WO | disclosed |