Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.35 |
| ▸ | CA2 | P00918 | 12/20 | 0.35 |
| ▸ | CA9 | Q16790 | 12/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30414257 | 1.00 | CA1 (0.35) | CA1CA2CA9CA12CA3 | |
| SCHEMBL19680072 | 0.89 | CA1 (0.36) | CA1CA2CA9CA12CA3 | |
| SCHEMBL22655171 | 0.78 | SELL (0.37) | HIF1A | |
| SCHEMBL30412775 | 0.78 | SELL (0.37) | HIF1A | |
| SCHEMBL31088896 | 0.76 | LPL (0.39) | HIF1A | |
| SCHEMBL30916355 | 0.76 | HIF1A (0.32) | HIF1A | |
| SCHEMBL31200686 | 0.73 | CYP3A4 (0.44) | CA1CA2CA9HIF1A | |
| SCHEMBL31200575 | 0.73 | HIF1A (0.39) | HIF1A | |
| SCHEMBL22654841 | 0.73 | IL1B (0.33) | HIF1A | |
| SCHEMBL31200594 | 0.73 | TRPA1 (0.41) | HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-118119626-A | Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors | 豪夫迈·罗氏有限公司 | 2024-05-31 | — | — | CN | disclosed |
| WO-2023066825-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-27 | — | — | WO | disclosed |