Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | TOP2A | P11388 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28874550 | 0.87 | MAPT (0.49) | KDM4EALDH1A1HPGDP2RY14MAPT | |
| SCHEMBL28874432 | 0.82 | XDH (0.46) | GSK3BKDM4EHPGDMAPTNPSR1 | |
| SCHEMBL28874556 | 0.80 | MAPT (0.56) | KDM4EALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL29878711 | 0.79 | GSK3B (0.50) | GSK3BALDH1A1TP53MAPTNPSR1 | |
| SCHEMBL28874444 | 0.79 | GSK3B (0.43) | GSK3BALDH1A1GAAHPGDP2RY14 | |
| SCHEMBL28874446 | 0.79 | MAPT (0.51) | KDM4EALDH1A1HPGDTP53MAPT | |
| SCHEMBL28874344 | 0.79 | GSK3B (0.50) | GSK3BALDH1A1TP53MAPTNPSR1 | |
| SCHEMBL28874308 | 0.78 | MAPT (0.52) | GSK3BKDM4EALDH1A1GAAHPGD | |
| SCHEMBL28874395 | 0.77 | MAPT (0.60) | KDM4EALDH1A1HPGDTP53P2RY14 | |
| SCHEMBL29878632 | 0.77 | MAPT (0.60) | KDM4EALDH1A1HPGDTP53P2RY14 |
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-115124485-B | Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-12-15 | — | — | CN | disclosed |
| CN-115124485-A | Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof | 中国医学科学院药物研究所 | 2022-09-30 | — | — | CN | disclosed |