Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.40 |
| ▸ | CKS1B | P61024 | 3/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | 0.91 | CYP2A6 (0.44) | CYP2A6CKS1BSKP2ALDH1A1SQOR | |
| SCHEMBL9612909 | 0.87 | CYP2A6 (0.45) | CYP2A6TRPV1CNR2SQORCYP1A2 | |
| SCHEMBL18174566 | 0.87 | CYP2A6 (0.53) | CYP2A6TRPV1CNR2NPC1GRIA2 | |
| SCHEMBL9612907 | 0.85 | CYP2A6 (0.43) | CYP2A6ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9613001 | 0.84 | COMT (0.46) | COMTCKS1BSKP2ALDH1A1CYP2C19 | |
| SCHEMBL18272696 | 0.82 | CYP2A6 (0.41) | COMTCYP2A6TRPV1CKS1BSKP2 | |
| SCHEMBL18174586 | 0.81 | CYP2A6 (0.44) | CYP2A6TRPV1CNR2GRIA2EPHX2 | |
| SCHEMBL9612842 | 0.81 | PTGS2 (0.50) | COMTCKS1BSKP2ALDH1A1CYP2C19 | |
| SCHEMBL18174725 | 0.81 | CYP2A6 (0.49) | CYP2A6CNR2SQORCYP1A2MAPK1 | |
| SCHEMBL15161094 | 0.81 | CYP2A6 (0.49) | CYP2A6CYP1A2PTGS2 |
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 |