Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.38 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19142401 | 0.92 | ESR1 (0.46) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL19142413 | 0.91 | ESR1 (0.45) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL19143012 | 0.90 | ESR1 (0.44) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL9611835 | 0.89 | RECQL (0.45) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL9611829 | 0.82 | ESR1 (0.50) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL19143125 | 0.82 | RECQL (0.43) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL9611846 | 0.82 | ESR1 (0.45) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL9611845 | 0.82 | ESR1 (0.51) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL14506134 | 0.82 | ESR1 (0.44) | RECQLESR1ESR2HDAC1HDAC8 | |
| SCHEMBL14505977 | 0.82 | RECQL (0.46) | RECQLESR1ESR2HDAC1HDAC8 |
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-3192789-A1 | NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | Idemitsu Kosan Co., Ltd. (JP) | 2017-07-19 | — | — | EP | disclosed |