Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | PIKFYVE | Q9Y2I7 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 9/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25859018 | 0.87 | CACNA2D1 (0.34) | CACNA2D1TSHR | |
| SCHEMBL25863128 | 0.86 | CHRNB2 (0.36) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL25859182 | 0.84 | CHRNB2 (0.35) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL31314251 | 0.84 | CACNA2D1 (0.33) | CACNA2D1TSHR | |
| SCHEMBL25857680 | 0.84 | S1PR1 (0.36) | CACNA2D1TSHR | |
| SCHEMBL25859022 | 0.80 | EGLN1 (0.37) | PIKFYVEBACE1TBK1APP | |
| SCHEMBL25299200 | 0.77 | NLRP3 (0.40) | — | |
| SCHEMBL25299201 | 0.77 | NLRP3 (0.40) | — | |
| SCHEMBL31314375 | 0.77 | ALOX5AP (0.43) | — | |
| SCHEMBL31314385 | 0.77 | DHFR (0.40) | CACNA2D1TSHR |
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 |