Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9612909 | 0.92 | CYP2A6 (0.45) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL9612987 | 0.91 | CYP2A6 (0.44) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL18174566 | 0.89 | CYP2A6 (0.53) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL28465041 | 0.86 | TLR8 (0.38) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL9613137 | 0.85 | BCHE (0.42) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL9612985 | 0.85 | COMT (0.45) | CYP2A6ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL10032755 | 0.84 | ABL1 (0.46) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL21982117 | 0.82 | CYP2A6 (0.41) | CYP2A6CCR1CCR8PDE4APDE4D | |
| SCHEMBL10032690 | 0.82 | ABL1 (0.46) | CYP2A6 | |
| SCHEMBL21981970 | 0.81 | CYP2A6 (0.40) | CYP2A6CCR1CCR8PDE4APDE4D |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |