Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736236 | 0.75 | KDM4E (0.48) | CCR1CCR8L3MBTL1ALDH1A1GRIN2D | |
| SCHEMBL16671449 | 0.73 | MAPKAPK2 (0.42) | ALDH1A1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL4740023 | 0.72 | ALDH1A1 (0.51) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4779703 | 0.71 | MAPKAPK2 (0.49) | ALDH1A1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL4757121 | 0.68 | PARP1 (0.49) | CCR1CCR8L3MBTL1ALDH1A1HSP90AA1 | |
| SCHEMBL25200994 | 0.67 | CCR1 (0.62) | CCR1CCR8L3MBTL1ALDH1A1CCR5 | |
| SCHEMBL2359356 | 0.66 | PSMB8 (0.45) | MAPKAPK2RPS6KA3CSNK2A1PLK3GRIN2D | |
| SCHEMBL7691155 | 0.66 | MAPKAPK2 (0.54) | ALDH1A1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL9037873 | 0.66 | HTT (0.49) | ALDH1A1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL29650339 | 0.66 | PSMB8 (0.45) | MAPKAPK2RPS6KA3CSNK2A1PLK3GRIN2D |
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-107935944-B | Diaryl urea quinoxaline derivative with anti-tumor activity and synthetic method thereof | 广西师范大学 | 2021-12-21 | — | — | CN | disclosed |