Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | FER | P16591 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | MARK3 | P27448 | 2/20 | 0.34 |
| ▸ | FLT4 | P35916 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 2/20 | 0.34 |
| ▸ | CLK2 | P49760 | 2/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.34 |
| ▸ | STK3 | Q13188 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28569921 | 0.81 | CYP3A4 (0.42) | ALDH1A1CYP3A4TDP1BACE1ALOX5 | |
| SCHEMBL14644674 | 0.80 | TDP1 (0.46) | ALDH1A1MAPK1CYP3A4TDP1PTPRC | |
| SCHEMBL28510500 | 0.78 | CYP1A2 (0.40) | ALDH1A1MAPK1CYP3A4TDP1PTGDR2 | |
| SCHEMBL28530516 | 0.78 | CYP3A4 (0.39) | ALDH1A1CYP3A4TDP1BACE1ALOX5 | |
| SCHEMBL28292924 | 0.78 | PSMB5 (0.41) | ALDH1A1MAPK1CYP3A4TDP1PTGDR2 | |
| SCHEMBL29635182 | 0.76 | TDP1 (0.50) | ALDH1A1MAPK1CYP3A4TDP1BACE1 | |
| SCHEMBL4004840 | 0.76 | TDP1 (0.50) | ALDH1A1MAPK1CYP3A4TDP1BACE1 | |
| SCHEMBL7799500 | 0.74 | TDP1 (0.48) | ALDH1A1MAPK1CYP3A4TDP1BACE1 | |
| SCHEMBL32685426 | 0.74 | TDP1 (0.48) | ALDH1A1MAPK1CYP3A4TDP1BACE1 | |
| SCHEMBL28535166 | 0.74 | GSTP1 (0.47) | ALDH1A1CYP3A4TDP1MAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112876507-B | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-109851635-B | Novel alkylated monophosphine ligand and simple preparation method thereof | 湖北大学 | 2021-03-16 | — | — | CN | disclosed |