Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 3/20 | 0.55 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | KDR | P35968 | 12/20 | 0.53 |
| ▸ | RET | P07949 | 2/20 | 0.53 |
| ▸ | KIF5B | P33176 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 8/20 | 0.53 |
| ▸ | GAK | O14976 | 1/20 | 0.53 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.53 |
| ▸ | STK10 | O94804 | 1/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.53 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.53 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.53 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.53 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985101 | 0.93 | KDR (0.53) | AURKBAURKAKDRRETKIF5B | |
| SCHEMBL28985113 | 0.89 | KDR (0.55) | AURKBAURKAKDRRETEGFR | |
| SCHEMBL28985105 | 0.87 | KDR (0.56) | AURKBKDREGFRIRAK4 | |
| SCHEMBL28985102 | 0.85 | EGFR (0.57) | AURKBKDRRETKIF5BEGFR | |
| SCHEMBL28985098 | 0.83 | KDR (0.62) | KDREGFR | |
| SCHEMBL28985094 | 0.83 | KDR (0.56) | AURKBKDREGFRIRAK4 | |
| SCHEMBL28985091 | 0.82 | KDR (0.55) | KDRRETEGFRGAKRIPK2 | |
| SCHEMBL28691068 | 0.82 | KDR (0.58) | AURKBAURKAKDRRETKIF5B | |
| SCHEMBL29449673 | 0.82 | KDR (0.58) | AURKBAURKAKDRRETKIF5B | |
| SCHEMBL29449658 | 0.82 | KDR (0.58) | AURKBAURKAKDRRETKIF5B |
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-113845485-B | Amino acid derivative and preparation method and application thereof | 湖南中医药大学 | 2023-03-14 | — | — | CN | disclosed |