Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL22322832 | 0.91 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22340392 | 0.83 | KDM4E (0.35) | L3MBTL1GAAMAPTSMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL22322837 | 0.82 | KDM4E (0.35) | L3MBTL1GAAMAPTKDM4EHSD17B10 | |
| SCHEMBL22322835 | 0.81 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22340704 | 0.79 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22340625 | 0.77 | USP2 (0.32) | CYP1A2CYP2C9MAPTMEN1KMT2A | |
| SCHEMBL22340393 | 0.75 | LTB4R (0.33) | — | |
| SCHEMBL2324818 | 0.74 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11338836 | 0.72 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22322834 | 0.71 | CYP11B2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020161162-A1 | HERBICIDAL PYRIDINIUM COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |