Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.61 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29254128 | 1.00 | AAK1 (0.61) | AAK1ITGA4ITGB7SLC7A5TDP1 | |
| SCHEMBL21732895 | 0.89 | AAK1 (0.57) | AAK1ITGA4ITGB7SLC7A5TDP1 | |
| SCHEMBL25319741 | 0.85 | AAK1 (0.65) | AAK1ITGA4ITGB7SLC7A5MAPT | |
| SCHEMBL16671958 | 0.85 | AAK1 (0.61) | AAK1ITGA4ITGB7SLC7A5POLB | |
| SCHEMBL25318293 | 0.85 | AAK1 (0.61) | AAK1ITGA4ITGB7SLC7A5MAPT | |
| SCHEMBL30949484 | 0.83 | AAK1 (0.65) | AAK1ITGA4ITGB7POLBPPARG | |
| SCHEMBL548006 | 0.83 | AAK1 (0.68) | AAK1ITGA4ITGB7SLC7A5TDP1 | |
| SCHEMBL548007 | 0.83 | AAK1 (0.68) | AAK1ITGA4ITGB7SLC7A5TDP1 | |
| SCHEMBL3219664 | 0.83 | AAK1 (0.68) | AAK1ITGA4ITGB7SLC7A5TDP1 | |
| SCHEMBL25946371 | 0.83 | AAK1 (0.56) | AAK1ITGA4ITGB7SLC7A5TDP1 |
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 |