Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PRKACA | P17612 | 2/20 | 0.31 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PRKCG | P05129 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | PRKX | P51817 | 1/20 | 0.30 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.30 |
| ▸ | PRKG1 | Q13976 | 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 | |
|---|---|---|---|---|
| SCHEMBL22322814 | 0.77 | CYP2D6 (0.40) | CYP2D6HDAC4MAPTCAMKK2GSK3B | |
| SCHEMBL22345565 | 0.77 | — | — | |
| SCHEMBL22340702 | 0.76 | CYP2D6 (0.43) | CYP2D6HDAC4P2RX7LMNAMAPT | |
| Hydrochloric Acid SCHEMBL22322805 | 0.70 | CYP2D6 (0.41) | CYP2D6HDAC4P2RX7MAPTROCK1 | |
| SCHEMBL22340812 | 0.70 | CYP2D6 (0.41) | CYP2D6HDAC4P2RX7MAPTROCK1 | |
| SCHEMBL22322804 | 0.69 | CYP2D6 (0.40) | CYP2D6HDAC4P2RX7MAPTROCK1 | |
| SCHEMBL22340676 | 0.69 | CYP2D6 (0.43) | CYP2D6HDAC4P2RX7KDM4ELMNA | |
| SCHEMBL20753308 | 0.67 | CYP2D6 (0.33) | CYP2D6MAPTGSK3B | |
| SCHEMBL22340370 | 0.66 | CYP2D6 (0.43) | CYP2D6MAPTROCK1CYP3A4PRKACA | |
| SCHEMBL20753477 | 0.63 | CAMKK2 (0.36) | CYP2D6HDAC4P2RX7MAPTCAMKK2 |
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-2020165310-A1 | PYRIDINIUM COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-20 | — | — | WO | disclosed |