Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28301793 | 1.00 | DHFR (0.49) | DHFRMEN1KMT2ANT5EEGFR | |
| SCHEMBL29139810 | 0.82 | FGFR1 (0.47) | DHFREGFRALDH1A1HTTPI4KA | |
| SCHEMBL28986222 | 0.81 | NT5E (0.40) | NT5ERPS6KA3ALDH1A1HTTHSP90AA1 | |
| SCHEMBL30219555 | 0.79 | MAPKAPK2 (0.55) | DHFREGFRRPS6KA3 | |
| SCHEMBL25402204 | 0.79 | MAPKAPK2 (0.55) | DHFREGFRRPS6KA3 | |
| SCHEMBL30219549 | 0.78 | RPS6KA3 (0.45) | NT5EEGFRRPS6KA3HSP90AA1HSP90AB1 | |
| SCHEMBL28986241 | 0.78 | RPS6KA3 (0.45) | NT5EEGFRRPS6KA3HSP90AA1HSP90AB1 | |
| Phenol SCHEMBL28142595 | 0.76 | FGFR1 (0.49) | NT5EEGFRRPS6KA3HTTPI4KA | |
| SCHEMBL30219547 | 0.75 | MAP3K14 (0.51) | DHFRMEN1KMT2AEGFRPDE4A | |
| SCHEMBL25402966 | 0.75 | MAP3K14 (0.51) | DHFRMEN1KMT2AEGFRPDE4A |
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 |