Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12458630 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PKMKDM2BKDM4EHRH3 | |
| SCHEMBL20756543 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PKMKDM2BKDM4EHRH3 | |
| SCHEMBL24844831 | 0.90 | KDM2B (0.39) | ALDH1A1PKMKDM2BKDM4EKCNH2 | |
| SCHEMBL12458632 | 0.89 | HRH3 (0.35) | ALDH1A1PKMKDM2BKDM4EHRH3 | |
| SCHEMBL20756541 | 0.89 | HRH3 (0.35) | ALDH1A1PKMKDM2BKDM4EHRH3 | |
| SCHEMBL20858038 | 0.87 | ALDH1A1 (0.37) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL20757013 | 0.85 | ALDH1A1 (0.36) | ALDH1A1KDM2BOPRM1OPRK1OPRL1 | |
| SCHEMBL14519149 | 0.85 | ALDH1A1 (0.36) | ALDH1A1KDM2BOPRM1OPRK1OPRL1 | |
| SCHEMBL19807290 | 0.84 | KAT2B (0.39) | ALDH1A1KDM2B | |
| SCHEMBL23554427 | 0.84 | KAT2B (0.39) | ALDH1A1KDM2B |
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 |