Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 8/20 | 0.43 |
| ▸ | THRA | P10827 | 7/20 | 0.43 |
| ▸ | RORC | P51449 | 3/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL30083001 | 1.00 | THRB (0.43) | THRBTHRARORCDHFRCYP3A4 | |
| SCHEMBL24449953 | 0.87 | THRB (0.38) | THRBTHRARORCDHFRP2RX3 | |
| SCHEMBL28649667 | 0.79 | THRA (0.38) | THRBTHRARORCCYP3A4CYP2D6 | |
| SCHEMBL30083018 | 0.79 | THRA (0.38) | THRBTHRARORCCYP3A4CYP2D6 | |
| SCHEMBL24450105 | 0.78 | RORC (0.37) | THRBTHRARORCMAPTL3MBTL1 | |
| SCHEMBL28669913 | 0.78 | THRA (0.41) | THRBTHRARORCALDH1A1 | |
| SCHEMBL28650050 | 0.75 | RORC (0.37) | THRBRORCDHFRP2RX3P2RX2 | |
| SCHEMBL28668263 | 0.75 | RORC (0.35) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30083017 | 0.75 | RORC (0.35) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL29527123 | 0.75 | THRB (0.41) | THRBTHRADHFRP2RX3P2RX2 |
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 |