Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL29069627 | 1.00 | PDE4A (0.40) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL29069639 | 0.90 | PDE4A (0.38) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL2749443 | 0.86 | PDE4A (0.43) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL20517233 | 0.85 | PDE4A (0.40) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL30600994 | 0.85 | PDE4A (0.40) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL21435251 | 0.85 | PDE4A (0.40) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL1396980 | 0.82 | PDE4A (0.44) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL31248919 | 0.82 | PDE4A (0.44) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL20517546 | 0.81 | PDE4A (0.38) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL1396954 | 0.81 | PDE4A (0.36) | PDE4APDE4CPDE4DCA1CA2 |
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-2023046198-A1 | SULFA KETONE COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2023-03-30 | — | — | WO | disclosed |