Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6182009 | 0.80 | MAPK1 (0.35) | MAPK1CYP1A2 | |
| SCHEMBL9236403 | 0.72 | CYP2C9 (0.41) | — | |
| SCHEMBL6203050 | 0.72 | KDM4E (0.44) | CYP1A2 | |
| SCHEMBL6186035 | 0.72 | ALDH1A1 (0.41) | MAPK1MCL1 | |
| SCHEMBL28743557 | 0.72 | CYP1A2 (0.50) | MCL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6183669 | 0.71 | ALDH1A1 (0.40) | MAPK1MCL1 | |
| Hydrochloric Acid SCHEMBL6184322 | 0.71 | KDM4E (0.43) | CYP1A2 | |
| SCHEMBL6181865 | 0.70 | CTNNB1 (0.35) | MCL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6184377 | 0.69 | CTNNB1 (0.34) | MCL1 | |
| SCHEMBL8387656 | 0.66 | ALDH1A1 (0.44) | MCL1CYP1A2 |
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-1995025099-A1 | 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1995-09-21 | — | — | WO | disclosed |