Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 6/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 2/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 5/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28986241 | 1.00 | RPS6KA3 (0.45) | RPS6KA3EGFRHDAC6HSP90AA1HSP90AB1 | |
| SCHEMBL28986263 | 0.80 | MAPKAPK2 (0.56) | LCKKITSRCKDRMAPKAPK2 | |
| SCHEMBL30219632 | 0.80 | MAPKAPK2 (0.56) | LCKKITSRCKDRMAPKAPK2 | |
| SCHEMBL30219606 | 0.79 | RXRA (0.36) | LCKKITSRCKDRMAPKAPK2 | |
| SCHEMBL28986319 | 0.79 | RXRA (0.36) | LCKKITSRCKDRMAPKAPK2 | |
| SCHEMBL30219641 | 0.78 | DHFR (0.49) | RPS6KA3EGFRHDAC6HSP90AA1HSP90AB1 | |
| SCHEMBL28301793 | 0.78 | DHFR (0.49) | RPS6KA3EGFRHDAC6HSP90AA1HSP90AB1 | |
| SCHEMBL28986222 | 0.78 | NT5E (0.40) | RPS6KA3HDAC6HSP90AA1HSP90AB1MAPKAPK2 | |
| SCHEMBL4978113 | 0.75 | XDH (0.48) | RPS6KA3HDAC6 | |
| SCHEMBL29139810 | 0.74 | FGFR1 (0.47) | EGFRSRC |
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 |