Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 8/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30219641 | 0.81 | DHFR (0.49) | NT5EHSP90AA1HSP90AB1HDAC6RPS6KA3 | |
| SCHEMBL28301793 | 0.81 | DHFR (0.49) | NT5EHSP90AA1HSP90AB1HDAC6RPS6KA3 | |
| SCHEMBL26270377 | 0.79 | MAPKAPK2 (0.55) | ROCK1MAP3K14MAPKAPK2 | |
| SCHEMBL30219585 | 0.79 | MAPKAPK2 (0.55) | ROCK1MAP3K14MAPKAPK2 | |
| SCHEMBL28986241 | 0.78 | RPS6KA3 (0.45) | NT5EHSP90AA1HSP90AB1HDAC6RPS6KA3 | |
| SCHEMBL30219549 | 0.78 | RPS6KA3 (0.45) | NT5EHSP90AA1HSP90AB1HDAC6RPS6KA3 | |
| SCHEMBL29139810 | 0.76 | FGFR1 (0.47) | ROCK1KDM4EALDH1A1HTTRAB9A | |
| SCHEMBL4978113 | 0.74 | XDH (0.48) | HDAC6RPS6KA3KDM4EALDH1A1HTT | |
| SCHEMBL2411704 | 0.72 | MAPKAPK2 (0.67) | ROCK1RPS6KA3KDM4EALDH1A1RAB9A | |
| Phenol SCHEMBL28142595 | 0.70 | FGFR1 (0.49) | NT5ERPS6KA3HTT |
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-109810110-B | Compound with 2-aminopyrimidine structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | disclosed |