Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL721248 | 0.84 | — | — | |
| SCHEMBL9438282 | 0.79 | METAP1 (0.36) | TSHRALDH1A1MAPK1 | |
| SCHEMBL2935124 | 0.77 | TSHR (0.47) | TSHRALDH1A1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL1970848 | 0.75 | METAP1 (0.37) | TSHR | |
| SCHEMBL9438243 | 0.75 | TSHR (0.35) | TSHRALDH1A1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL5984581 | 0.75 | — | — | |
| SCHEMBL4360649 | 0.73 | — | — | |
| SCHEMBL5024805 | 0.73 | — | — | |
| SCHEMBL55622 | 0.71 | — | — | |
| SCHEMBL9438288 | 0.71 | TSHR (0.36) | TSHR |
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-108794393-B | 6-oxo-1, 6-dihydropyridine-3-carboxamide derivative, pharmaceutical composition, preparation method and application thereof | 北京施安泰医药技术开发有限公司 | 2021-04-27 | — | — | CN | disclosed |