Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.53 |
| ▸ | GSK3A | P49840 | 3/20 | 0.51 |
| ▸ | PRKCA | P17252 | 2/20 | 0.48 |
| ▸ | RGS4 | P49798 | 4/20 | 0.46 |
| ▸ | RGS8 | P57771 | 4/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28891819 | 0.78 | GSK3B (0.60) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL28891760 | 0.75 | GSK3B (0.60) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL28959427 | 0.74 | GSK3B (0.69) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL23763548 | 0.73 | GSK3B (0.77) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL13562490 | 0.72 | RGS4 (0.75) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL28891780 | 0.72 | GSK3B (0.63) | GSK3BGSK3APRKCARGS4RGS8 | |
| SCHEMBL8555421 | 0.72 | SLC6A2 (0.47) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8559794 | 0.71 | TDP1 (0.48) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8558048 | 0.71 | TDP1 (0.48) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8559698 | 0.71 | TDP1 (0.48) | SLC6A2SLC6A3SLC6A4 |
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-115197167-A | 1,2,4-thiadiazolidine-3,5-diketone compound and preparation method and application thereof | 中国药科大学 | 2022-10-18 | — | — | CN | disclosed |