Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28934574 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNA4NPC1RAB9APOLB | |
| SCHEMBL188568 | 0.85 | CHRNB2 (0.49) | CHRNB2CHRNA4 | |
| SCHEMBL12179763 | 0.81 | CHRNB2 (0.47) | CHRNB2CHRNA4 | |
| SCHEMBL13779692 | 0.81 | CHRNB2 (0.45) | CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL16349467 | 0.80 | CHRNB2 (0.43) | CHRNB2CHRNA4 | |
| SCHEMBL15850915 | 0.78 | CHRNB2 (0.43) | CHRNB2CHRNA4 | |
| SCHEMBL188863 | 0.78 | CHRNB2 (0.47) | CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL7924171 | 0.76 | MAPT (0.47) | CHRNB2CHRNA4 | |
| SCHEMBL24628664 | 0.76 | APP (0.45) | NPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL28795405 | 0.76 | CHRNB2 (0.38) | CHRNB2CHRNA4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |