Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.60 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL977220 | 0.89 | AAK1 (0.61) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL548006 | 0.87 | AAK1 (0.68) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL3219664 | 0.87 | AAK1 (0.68) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL548007 | 0.87 | AAK1 (0.68) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL3750184 | 0.84 | AAK1 (0.58) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL3750181 | 0.84 | AAK1 (0.58) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL18256471 | 0.83 | AAK1 (0.57) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL19088485 | 0.83 | AAK1 (0.57) | AAK1SLC7A5ITGA4ITGB7CTSS | |
| SCHEMBL30949483 | 0.83 | AAK1 (0.62) | AAK1SLC7A5ITGA4ITGB7ATM | |
| SCHEMBL22033186 | 0.83 | AAK1 (0.62) | AAK1SLC7A5ITGA4ITGB7CTSS |
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-118005531-A | Synthesis method of chiral unnatural amino acid derivative | 内蒙古大学 | 2024-05-10 | — | — | CN | disclosed |