Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519457 | 0.91 | AAK1 (0.41) | AAK1ALDH1A1KDM4EHPGDCYP2D6 | |
| SCHEMBL28515407 | 0.89 | AAK1 (0.39) | AAK1ALDH1A1KDM4EHPGDCYP2D6 | |
| SCHEMBL28518871 | 0.85 | AAK1 (0.41) | AAK1ALDH1A1CYP2D6GAA | |
| SCHEMBL28519453 | 0.85 | AAK1 (0.41) | AAK1ALDH1A1CACNA1BKDM4EHPGD | |
| SCHEMBL28526489 | 0.84 | AAK1 (0.41) | AAK1CYP2D6PPARGPPARA | |
| SCHEMBL28519422 | 0.82 | CYP2D6 (0.43) | AAK1CACNA1BCYP2D6PPARGPPARA | |
| SCHEMBL28521318 | 0.81 | KDM4E (0.40) | AAK1ALDH1A1CACNA1BKDM4ECYP2D6 | |
| SCHEMBL28520580 | 0.77 | CYP2D6 (0.40) | AAK1ALDH1A1KDM4EHPGDCYP2D6 | |
| SCHEMBL28515363 | 0.77 | CYP2D6 (0.40) | AAK1ALDH1A1CACNA1BKDM4EHPGD | |
| SCHEMBL15964931 | 0.76 | PPARA (0.49) | AAK1ALDH1A1CYP3A4CACNA1BPPARG |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |