Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758203 | 0.84 | EPHX1 (0.58) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL18448281 | 0.80 | EPHX1 (0.58) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL7906106 | 0.79 | EPHX1 (0.61) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL7906110 | 0.79 | EPHX1 (0.61) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL27691659 | 0.79 | EPHX1 (0.61) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL7909103 | 0.79 | EPHX1 (0.61) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL3353032 | 0.78 | EPHX1 (0.59) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL28223379 | 0.78 | EPHX1 (0.59) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL28211972 | 0.78 | EPHX1 (0.59) | EPHX1CYP2C19CYP1A2CYP2D6PKM | |
| SCHEMBL2183709 | 0.78 | EPHX1 (0.59) | EPHX1CYP2C19CYP1A2CYP2D6PKM |
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-2020244968-A1 | FUNGICIDAL N-(PYRID-3-YL)CARBOXAMIDES | BASF SE (DE) | 2020-12-10 | — | — | WO | disclosed |