Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.46 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.46 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24648300 | 1.00 | ESR1 (0.50) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL11954080 | 0.95 | ESR1 (0.46) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL19164151 | 0.95 | ESR2 (0.54) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL12121655 | 0.94 | ESR1 (0.48) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL21867550 | 0.94 | ESR1 (0.45) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL13784207 | 0.94 | ESR1 (0.45) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL20086978 | 0.94 | ESR1 (0.49) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL19164414 | 0.94 | RECQL (0.48) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL19194365 | 0.93 | ESR1 (0.44) | ESR1ESR2RECQLGRIA1CACNG8 | |
| SCHEMBL26294115 | 0.93 | ESR1 (0.47) | ESR1ESR2RECQLGRIA1CACNG8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2749560-B1 | Novel nitrogen-containing heterocyclic compounds and organic electronic device using same | LG CHEMICAL LTD (KR) | 2019-10-02 | — | — | EP | disclosed |