Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 12/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30083018 | 1.00 | THRA (0.38) | THRATHRBRORCCTSAGLRA1 | |
| SCHEMBL28650685 | 0.79 | THRB (0.43) | THRATHRBRORCCYP3A4CYP2D6 | |
| SCHEMBL30083001 | 0.79 | THRB (0.43) | THRATHRBRORCCYP3A4CYP2D6 | |
| SCHEMBL24450105 | 0.77 | RORC (0.37) | THRATHRBRORCCTSAPDE10A | |
| SCHEMBL24449953 | 0.77 | THRB (0.38) | THRATHRBRORC | |
| SCHEMBL28669913 | 0.71 | THRA (0.41) | THRATHRBRORC | |
| SCHEMBL24365238 | 0.69 | MAPT (0.35) | CTSA | |
| SCHEMBL28650050 | 0.66 | RORC (0.37) | THRBRORC | |
| SCHEMBL29527123 | 0.66 | THRB (0.41) | THRATHRB | |
| SCHEMBL29066191 | 0.66 | THRB (0.41) | THRATHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698388-B | 6-oxo-1, 6-dihydropyridine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113698388-A | 6-oxo-1, 6-dihydropyridine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2021-11-26 | — | — | CN | disclosed |