Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL24001099 | 0.79 | CYP2A6 (0.36) | CYP2A6ADRB2 | |
| SCHEMBL24001029 | 0.72 | ADRB2 (0.42) | CYP2A6ADRB2 | |
| SCHEMBL24001017 | 0.72 | CYP2A6 (0.42) | CYP2A6ADRB2 | |
| SCHEMBL20753468 | 0.71 | CYP2A6 (0.39) | CYP2A6ADRB2 | |
| SCHEMBL20753267 | 0.70 | ALDH1A1 (0.40) | CYP2A6 | |
| SCHEMBL20753533 | 0.70 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL24001079 | 0.70 | CYP2A6 (0.33) | CYP2A6ADRB2 | |
| Hydrochloric Acid SCHEMBL22345329 | 0.69 | ALDH1A1 (0.36) | CYP2A6 | |
| Bromide SCHEMBL20743531 | 0.69 | ALDH1A1 (0.39) | CYP2A6 | |
| SCHEMBL22345285 | 0.69 | ALDH1A1 (0.36) | CYP2A6 |
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-3668855-B1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-11-10 | — | — | EP | disclosed |