Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1135161 | 0.84 | CYP2A6 (0.31) | CYP2A6ALDH1A1 | |
| SCHEMBL199904 | 0.78 | — | — | |
| 4-Bromoaniline SCHEMBL6903090 | 0.77 | CYP2A6 (0.35) | CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL20350780 | 0.72 | CYP2A6 (0.44) | CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL3919371 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPK1 | |
| SCHEMBL22478 | 0.68 | — | — | |
| SCHEMBL8591536 | 0.68 | — | — | |
| SCHEMBL22462009 | 0.67 | CYP2A6 (0.44) | CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL25231433 | 0.66 | — | — | |
| Benzene SCHEMBL28592113 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070020479-A1 | Luminescent-polymer composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-01-25 | — | — | US | disclosed |