Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30172443 | 1.00 | AAK1 (0.58) | AAK1HSD17B10CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL17099735 | 0.90 | AAK1 (0.72) | AAK1HSD17B10CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL29398697 | 0.90 | AAK1 (0.72) | AAK1HSD17B10CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL30172444 | 0.87 | AAK1 (0.61) | AAK1HSD17B10CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL30172478 | 0.84 | AAK1 (0.57) | AAK1NTRK1JAK2JAK3PTK2 | |
| SCHEMBL30172413 | 0.83 | AAK1 (0.56) | AAK1NTRK1JAK2JAK3PTK2 | |
| SCHEMBL31441763 | 0.82 | AAK1 (0.66) | AAK1NTRK1GPR119GAANPSR1 | |
| SCHEMBL31441725 | 0.82 | AAK1 (0.66) | AAK1NTRK1GPR119GAANPSR1 | |
| SCHEMBL30172469 | 0.81 | AAK1 (0.61) | AAK1HSD17B10CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL31441491 | 0.81 | AAK1 (0.59) | AAK1 |
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-115677705-A | AAK1 inhibitor and application thereof | 武汉人福创新药物研发中心有限公司 | 2023-02-03 | — | — | CN | disclosed |