Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519453 | 0.86 | AAK1 (0.41) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28524718 | 0.85 | AAK1 (0.41) | AAK1CYP2D6ALDH1A1GAA | |
| SCHEMBL28519457 | 0.85 | AAK1 (0.41) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28526489 | 0.85 | AAK1 (0.41) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28515407 | 0.83 | AAK1 (0.39) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28519422 | 0.83 | CYP2D6 (0.43) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28520580 | 0.78 | CYP2D6 (0.40) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28521318 | 0.77 | KDM4E (0.40) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL28515363 | 0.75 | CYP2D6 (0.40) | AAK1CYP2D6CA2CA1CA4 | |
| SCHEMBL27552474 | 0.74 | HPGD (0.44) | AAK1CA2CA1ALDH1A1GAA |
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 |