Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10079576 | 0.83 | CES2 (0.41) | CYP3A4CES2CES1ACHEALDH1A1 | |
| SCHEMBL6141021 | 0.80 | CYP3A4 (0.40) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL2339911 | 0.80 | ALDH1A1 (0.38) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL29413776 | 0.76 | CES2 (0.44) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL10548284 | 0.76 | CES2 (0.44) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL7199994 | 0.76 | CES2 (0.44) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL31852251 | 0.75 | GABRA1 (0.50) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL15903486 | 0.75 | ACHE (0.43) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL84442 | 0.75 | GABRA1 (0.50) | CYP3A4IDO1TDO2CES2CES1 | |
| SCHEMBL10079990 | 0.74 | ADRB2 (0.44) | CYP3A4IDO1TDO2CYP2C9ALDH1A1 |
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-2012084678-A1 | NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-06-28 | — | — | WO | disclosed |