Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10362651 | 0.91 | CYP3A4 (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL15824218 | 0.90 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL17223571 | 0.90 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL29367330 | 0.90 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL14637887 | 0.90 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL15822013 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL17289535 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL30204751 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL29367659 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL14645417 | 0.88 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107392-B1 | FUNGICIDAL COMPOSITIONS OF PYRAZOLECARBOXYLIC ACID ALKOXYAMIDES | BAYER CROPSCIENCE AG (DE) | 2018-05-02 | — | — | EP | disclosed |