Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428123 | 1.00 | AAK1 (0.39) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL28526456 | 0.91 | CYP2D6 (0.41) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL28526454 | 0.91 | CYP2D6 (0.41) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL16974958 | 0.83 | ATM (0.42) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL16974957 | 0.83 | ATM (0.42) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL23877853 | 0.83 | ATM (0.42) | AAK1ATMSYKKLK5ALDH1A1 | |
| SCHEMBL18428095 | 0.83 | PPARG (0.43) | ALDH1A1MAPTGAAHPGDALOX12 | |
| SCHEMBL18428092 | 0.83 | PPARG (0.43) | ALDH1A1MAPTGAAHPGDALOX12 | |
| SCHEMBL28523133 | 0.81 | AAK1 (0.50) | AAK1ATMSYKKLK5CTSS | |
| SCHEMBL18427975 | 0.81 | AAK1 (0.50) | AAK1ATMSYKKLK5CTSS |
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-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |