Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CAMKK1 | Q8N5S9 | 3/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 3/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9613135 | 0.84 | PTPN5 (0.36) | PTPN5PTPN2PDK2HRH3CAMKK1 | |
| SCHEMBL9612909 | 0.83 | CYP2A6 (0.45) | CYP2A6CNR2PTGS2ABL1GRIA2 | |
| SCHEMBL9613123 | 0.82 | CAMKK1 (0.34) | PTPN5PTPN2HRH3CAMKK1CAMKK2 | |
| SCHEMBL9612987 | 0.81 | CYP2A6 (0.44) | CYP2A6PTGS2 | |
| SCHEMBL9612907 | 0.81 | CYP2A6 (0.43) | CYP2A6 | |
| SCHEMBL18174566 | 0.80 | CYP2A6 (0.53) | CYP2A6CNR2PDK2ABL1GRIA2 | |
| SCHEMBL21565051 | 0.79 | PTGS2 (0.43) | CYP2A6CNR2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL9612978 | 0.78 | PTGS2 (0.41) | PDK2PDK4PTGS2ABL1CAMKK1 | |
| SCHEMBL9612985 | 0.76 | COMT (0.45) | CYP2A6CNR2PTGS2GRIA2 | |
| SCHEMBL5667889 | 0.74 | CYP2A6 (0.46) | CYP2A6CNR2PDK2PDK4HRH3 |
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 |