Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL28526456 | 1.00 | CYP2D6 (0.41) | CYP2D6AAK1ATMALDH1A1MAPT | |
| SCHEMBL28859563 | 0.91 | AAK1 (0.39) | AAK1ATMALDH1A1MAPTHPGD | |
| SCHEMBL18428123 | 0.91 | AAK1 (0.39) | AAK1ATMALDH1A1MAPTHPGD | |
| SCHEMBL18472360 | 0.84 | ADRB2 (0.36) | CYP2D6AAK1ALDH1A1MAPTHPGD | |
| SCHEMBL28520956 | 0.83 | CYP2D6 (0.42) | CYP2D6AAK1ATMALDH1A1MAPT | |
| SCHEMBL16970672 | 0.83 | CYP2D6 (0.42) | CYP2D6AAK1ATMALDH1A1MAPT | |
| SCHEMBL28520959 | 0.83 | CYP2D6 (0.42) | CYP2D6AAK1ATMALDH1A1MAPT | |
| SCHEMBL28526994 | 0.83 | KMT2A (0.42) | CYP2D6ALDH1A1MAPTHPGDGAA | |
| SCHEMBL28526991 | 0.83 | KMT2A (0.42) | CYP2D6ALDH1A1MAPTHPGDGAA | |
| SCHEMBL28907010 | 0.81 | CYP2D6 (0.41) | CYP2D6AAK1ATMALDH1A1MAPT |
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 |