Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 3/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28412209 | 0.79 | TYMP (0.51) | ALDH1A1GAAPARP1KDM4ECA12 | |
| SCHEMBL9597919 | 0.75 | TYMP (0.38) | ALDH1A1GAAPARP1KDM4ECA12 | |
| SCHEMBL4130012 | 0.68 | TYMP (0.41) | ALDH1A1TSHRHTTPARP1KDM4E | |
| SCHEMBL3953282 | 0.66 | ALDH1A1 (0.50) | ALDH1A1GAATSHRHTTKDM4E | |
| SCHEMBL20828256 | 0.64 | TYMP (0.65) | ALDH1A1KDM4ETYMPHSD17B10LMNA | |
| SCHEMBL7711005 | 0.63 | GPR84 (0.39) | ALDH1A1GAAHTTKDM4ETYMP | |
| Toluene SCHEMBL3828832 | 0.62 | LMNA (0.61) | ALDH1A1GAATSHRHTTPARP1 | |
| Toluene SCHEMBL21981709 | 0.62 | LMNA (0.61) | ALDH1A1GAATSHRHTTPARP1 | |
| SCHEMBL20234170 | 0.61 | KMT2A (0.44) | ALDH1A1TSHRPOLBL3MBTL1MEN1 | |
| SCHEMBL5887768 | 0.60 | CYP1A2 (0.40) | ALDH1A1TSHRL3MBTL1LMNA |
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 |