Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9612987 | 0.93 | CYP2A6 (0.44) | CYP2A6NUDT1PDE4APDE4DCYP1A2 | |
| SCHEMBL9612907 | 0.92 | CYP2A6 (0.43) | CYP2A6NUDT1PDE4APDE4DCCR1 | |
| SCHEMBL18174566 | 0.91 | CYP2A6 (0.53) | CYP2A6NUDT1PDE4APDE4DBRD4 | |
| SCHEMBL9612985 | 0.87 | COMT (0.45) | CYP2A6CYP1A2BRD4CNR2TRPV1 | |
| SCHEMBL9612906 | 0.83 | CYP2A6 (0.36) | CYP2A6CNR2GRIA2PTGS2ABL1 | |
| SCHEMBL9612807 | 0.82 | PTGS2 (0.50) | CYP2A6CYP1A2PTGS1PTGS2DHODH | |
| SCHEMBL18174586 | 0.82 | CYP2A6 (0.44) | CYP2A6CNR2TRPV1GRIA2EPHX2 | |
| SCHEMBL10032690 | 0.81 | ABL1 (0.46) | CYP2A6CYP1A2CNR2TRPV1GRIA2 | |
| SCHEMBL10032755 | 0.81 | ABL1 (0.46) | CYP2A6PDE4APDE4DCCR1CCR8 | |
| SCHEMBL15161070 | 0.80 | CYP2A6 (0.46) | CYP2A6CNR2TRPV1GRIA2EPHX2 |
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 |