Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28518890 | 1.00 | AAK1 (0.35) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL18428108 | 0.92 | ATM (0.36) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL18472340 | 0.87 | HPGD (0.32) | ALDH1A1MAPTHPGDLMNAHSD17B10 | |
| SCHEMBL28907013 | 0.85 | MAPT (0.35) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL28907014 | 0.85 | MAPT (0.35) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL16970635 | 0.84 | LMNA (0.36) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL28524714 | 0.84 | LMNA (0.36) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL28520990 | 0.84 | LMNA (0.36) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL16970618 | 0.84 | ALDH1A1 (0.35) | AAK1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL18428003 | 0.84 | ATM (0.41) | AAK1ALDH1A1MAPTHPGDLMNA |
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 |