Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.57 |
| ▸ | KDR | P35968 | 15/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 12/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 12/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 12/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 12/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 12/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 12/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.52 |
| ▸ | KIF5B | P33176 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985103 | 0.94 | EGFR (0.57) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985094 | 0.92 | KDR (0.56) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985098 | 0.92 | KDR (0.62) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985105 | 0.91 | KDR (0.56) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985092 | 0.91 | KDR (0.54) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985131 | 0.91 | KDR (0.54) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985113 | 0.87 | KDR (0.55) | EGFRKDRRETAURKBIRAK4 | |
| SCHEMBL28985137 | 0.86 | KDR (0.56) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL28985118 | 0.86 | KDR (0.60) | EGFRKDR | |
| SCHEMBL28985107 | 0.85 | AURKB (0.55) | EGFRKDRRETKIF5BAURKB |
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 |