Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | CACNA2D2 | Q9NY47 | 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 | |
|---|---|---|---|---|
| SCHEMBL25858440 | 0.86 | ALDH1A1 (0.35) | ALDH1A1KDM4EFDPS | |
| SCHEMBL25258312 | 0.86 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTFDPS | |
| SCHEMBL31197268 | 0.84 | EHMT2 (0.35) | — | |
| SCHEMBL25858318 | 0.82 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KDM4EPOLBGAA | |
| SCHEMBL29030544 | 0.82 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTCACNA2D1 | |
| SCHEMBL25862541 | 0.81 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KDM4EFDPSCACNA2D1 | |
| SCHEMBL25856837 | 0.81 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KDM4EPOLBGAA | |
| SCHEMBL25861756 | 0.79 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KDM4EFDPSCACNA2D1 | |
| SCHEMBL31314127 | 0.78 | ALDH1A1 (0.35) | ALDH1A1KDM4EFDPS | |
| SCHEMBL25859857 | 0.78 | ALDH1A1 (0.35) | ALDH1A1KDM4EFDPS |
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 |