Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.48 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.48 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16948668 | 0.94 | ESR1 (0.61) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL19277874 | 0.93 | ESR1 (0.63) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL13414606 | 0.92 | MAPK1 (0.53) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL10040270 | 0.92 | ESR1 (0.51) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL11954093 | 0.92 | MAPK1 (0.55) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL16141214 | 0.92 | ESR1 (0.58) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL22618150 | 0.91 | ESR1 (0.61) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL10040278 | 0.90 | ESR1 (0.52) | ESR1ESR2MAPK1HTTHDAC1 | |
| SCHEMBL13414459 | 0.90 | ESR1 (0.63) | ESR1ESR2MAPK1HTTSIRT2 | |
| SCHEMBL13314056 | 0.90 | ESR2 (0.67) | ESR1ESR2MAPK1HTTHDAC1 |
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-2021129102-A1 | HETEROCYCLIC COMPOUND, SYNTHESIS METHOD THEREFOR, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2021-07-01 | — | — | WO | disclosed |