Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 4/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | PDE6D | O43924 | 2/20 | 0.35 |
| ▸ | PDE6A | P16499 | 2/20 | 0.35 |
| ▸ | PDE6G | P18545 | 2/20 | 0.35 |
| ▸ | PDE6B | P35913 | 2/20 | 0.35 |
| ▸ | PDE6C | P51160 | 2/20 | 0.35 |
| ▸ | PDE6H | Q13956 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | IL1B | P01584 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30951380 | 0.81 | HTR7 (0.40) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL30951394 | 0.81 | HTR7 (0.40) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL24695405 | 0.69 | ALOX5AP (0.40) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL30994247 | 0.66 | IL1B (0.35) | IL1B | |
| SCHEMBL31553142 | 0.66 | PIK3CD (0.35) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL31553141 | 0.66 | PDE2A (0.35) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL17585457 | 0.66 | LRRK2 (0.43) | IDO1TDO2LRRK2 | |
| SCHEMBL27110496 | 0.65 | PDE4B (0.50) | PDE2ALMNATP53 | |
| SCHEMBL30994253 | 0.65 | IL1B (0.43) | IL1B | |
| SCHEMBL12068383 | 0.64 | KDM4E (0.50) | TP53 |
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-2024094150-A1 | NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2024-05-10 | — | — | WO | disclosed |