Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521366 | 0.89 | ATM (0.34) | AAK1ATMPPARGPPARALMNA | |
| SCHEMBL28521303 | 0.89 | PPARG (0.34) | AAK1ATMPPARGPPARALMNA | |
| SCHEMBL18428068 | 0.89 | ATM (0.38) | AAK1ATMPPARGPPARALMNA | |
| SCHEMBL28527894 | 0.84 | ATM (0.37) | ATMKLK5TACR1SYK | |
| SCHEMBL28520988 | 0.83 | IDO1 (0.36) | AAK1ATMLMNATP53HSP90AA1 | |
| SCHEMBL28520992 | 0.83 | IDO1 (0.36) | AAK1ATMLMNATP53HSP90AA1 | |
| SCHEMBL28529157 | 0.83 | IDO1 (0.36) | AAK1ATMLMNAKLK5MAPT | |
| SCHEMBL28520977 | 0.83 | CTSS (0.36) | ATMKLK5SYK | |
| SCHEMBL28514878 | 0.81 | IDO1 (0.36) | AAK1ATMLMNATP53KLK5 | |
| SCHEMBL28520997 | 0.81 | AAK1 (0.36) | AAK1ATMPPARGPPARALMNA |
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 |