Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521318 | 0.87 | KDM4E (0.40) | CYP2D6AAK1ALDH1A1CA2CA1 | |
| SCHEMBL28448730 | 0.85 | AAK1 (0.41) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL61961 | 0.84 | ALDH1A1 (0.52) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL28515363 | 0.81 | CYP2D6 (0.40) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL28519422 | 0.79 | CYP2D6 (0.43) | CYP2D6AAK1CA2CA1CA7 | |
| SCHEMBL28519453 | 0.78 | AAK1 (0.41) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL28518871 | 0.78 | AAK1 (0.41) | CYP2D6AAK1ALDH1A1CA2CA1 | |
| SCHEMBL28519457 | 0.77 | AAK1 (0.41) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL28524718 | 0.77 | AAK1 (0.41) | CYP2D6AAK1MAPTHPGDALDH1A1 | |
| SCHEMBL28526489 | 0.77 | AAK1 (0.41) | CYP2D6AAK1CA2CA1CA7 |
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 |