Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032893 | 0.96 | CYP2A6 (0.43) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032888 | 0.96 | CYP2A6 (0.48) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032625 | 0.91 | CCR1 (0.41) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032684 | 0.90 | CYP2A6 (0.46) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032861 | 0.90 | CYP2A6 (0.46) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL10032638 | 0.90 | CCR1 (0.44) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032753 | 0.89 | CYP2A6 (0.44) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL10032734 | 0.89 | CYP2A6 (0.49) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL10032756 | 0.89 | CYP2A6 (0.43) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL15977441 | 0.88 | CYP2A6 (0.42) | CYP2A6CCR1CCR5CCR8ALDH1A1 |
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-2012060374-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-10 | — | — | WO | disclosed |