Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.44 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RHEB | Q15382 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952293 | 0.82 | ALDH1A1 (0.50) | ALDH1A1DPYD | |
| SCHEMBL11617247 | 0.77 | IDO1 (0.50) | ALDH1A1 | |
| SCHEMBL28412370 | 0.76 | MCL1 (0.44) | TYMSHAO1ALDH1A1RHEBDPYD | |
| SCHEMBL28415009 | 0.76 | ALDH1A1 (0.46) | TYMSALDH1A1RHEBDHFRDPYD | |
| SCHEMBL28417137 | 0.76 | GAA (0.46) | ALDH1A1DPYD | |
| SCHEMBL11616697 | 0.76 | ATAD2 (0.50) | HAO1HKDC1ALDH1A1DPYD | |
| SCHEMBL28421433 | 0.75 | IDO1 (0.48) | TYMSHAO1ALDH1A1 | |
| SCHEMBL30548745 | 0.71 | MAP2K2 (0.48) | TYMSMAP2K2MAP2K1HAO1G6PD | |
| SCHEMBL16652148 | 0.71 | ALDH1A1 (0.64) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28413615 | 0.71 | ATAD2 (0.48) | HAO1ALDH1A1DPYD |
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-109651267-B | Method for preparing 5-sulfur/selenium modified uracil derivative | 中国科学院化学研究所 | 2020-05-19 | — | — | CN | disclosed |