Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 3/20 | 0.70 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.70 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.70 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.70 |
| ▸ | XDH | P47989 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 5/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28861601 | 0.85 | PI4KA (0.68) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL28960375 | 0.84 | XDH (0.62) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL27886637 | 0.80 | PI4KA (0.64) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL2949173 | 0.80 | HSP90AA1 (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL28230973 | 0.79 | PI4KA (0.47) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL30677377 | 0.76 | XDH (0.57) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL28861589 | 0.75 | LMNA (0.49) | PI4KAPI4K2BPI4K2API4KBDHFR | |
| SCHEMBL24703571 | 0.75 | FGFR1 (0.64) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL27870413 | 0.75 | XDH (0.58) | PI4KAPI4K2BPI4K2API4KBXDH | |
| SCHEMBL28230093 | 0.72 | CDK1 (0.48) | PI4KAPI4K2BPI4K2API4KBXDH |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108371662-B | Application of five-membered heterocyclic pyrimidine compound | 中国药科大学 | 2023-03-03 | — | — | CN | claimed |
| CN-108371662-A | A kind of application of five-ring heterocycles miazines compound | 中国药科大学 | 2018-08-07 | — | — | CN | claimed |
| CN-102659785-B | 2-amino-6-aminomethylpurine compound and preparation method and application thereof | UNIV SHANDONG | 2014-04-30 | — | — | CN | claimed |
| CN-102659785-A | 2-amino-6-aminomethylpurine compound and preparation method and application thereof | UNIV SHANDONG | 2012-09-12 | — | — | CN | claimed |
| CN-108371662-A | A kind of application of five-ring heterocycles miazines compound | 中国药科大学 | 2018-08-07 | — | — | CN | disclosed |
| CN-102659785-B | 2-amino-6-aminomethylpurine compound and preparation method and application thereof | UNIV SHANDONG | 2014-04-30 | — | — | CN | disclosed |
| CN-102659785-A | 2-amino-6-aminomethylpurine compound and preparation method and application thereof | UNIV SHANDONG | 2012-09-12 | — | — | CN | disclosed |