Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | RPA1 | P27694 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12324523 | 0.82 | JAK2 (0.50) | KIF11KDM4EBCHETNKS2MAPT | |
| SCHEMBL20933100 | 0.81 | BCHE (0.50) | KIF11KDM4EBCHETNKS2MAPT | |
| SCHEMBL31285499 | 0.81 | CDK4 (0.54) | KIF11KDM4EBCHEMEN1KMT2A | |
| SCHEMBL17040549 | 0.81 | CDK4 (0.54) | KIF11KDM4EBCHEMEN1KMT2A | |
| SCHEMBL29726988 | 0.81 | KIF11 (0.67) | KIF11KDM4EBCHEMAPTMEN1 | |
| SCHEMBL13267003 | 0.81 | KIF11 (0.67) | KIF11KDM4EBCHEMAPTMEN1 | |
| SCHEMBL23098894 | 0.80 | AR (0.47) | KIF11BCHEAHRJAK2CDK4 | |
| SCHEMBL31651449 | 0.80 | CDK4 (0.54) | KDM4EBCHETNKS2MAPTMEN1 | |
| SCHEMBL20232184 | 0.80 | CDK4 (0.54) | KIF11KDM4ETNKS2MAPTMEN1 | |
| SCHEMBL3365443 | 0.80 | CDK4 (0.54) | KDM4EBCHETNKS2MAPTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |
| CN-109111433-A | A kind of organic electroluminescent compounds and application thereof and organic electroluminescence device | 北京鼎材科技有限公司 | 2019-01-01 | — | — | CN | disclosed |