Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612921 | 0.89 | DHFR (0.40) | CYP2A6CYP1A2CYP11B1CYP11B2GBA1 | |
| SCHEMBL18174764 | 0.87 | CYP2A6 (0.41) | CYP2A6CYP11B1CYP11B2CDK7TDO2 | |
| SCHEMBL15161112 | 0.87 | CYP2A6 (0.47) | CYP2A6CYP11B1CYP11B2CDK7TDO2 | |
| SCHEMBL9612943 | 0.84 | CYP2A6 (0.39) | CYP2A6CYP11B1CYP11B2CHRNA7CDK7 | |
| SCHEMBL15161047 | 0.82 | CYP11B2 (0.43) | CYP2A6CYP11B1CYP11B2CDK7GBA1 | |
| SCHEMBL18174777 | 0.82 | CYP2A6 (0.40) | CYP2A6CYP11B1CYP11B2CDK7S1PR1 | |
| SCHEMBL18174775 | 0.82 | GRM4 (0.35) | CYP2A6CYP1A2CYP11B1CYP11B2CDK7 | |
| SCHEMBL18174791 | 0.82 | DHODH (0.41) | CYP2A6CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL15161110 | 0.81 | CYP11B1 (0.44) | CYP2A6CYP11B1CYP11B2LMNAHTT | |
| SCHEMBL18174747 | 0.81 | CYP2A6 (0.46) | CYP2A6CYP11B1CYP11B2CDK7GBA1 |
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 |