Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL12864218 | 0.92 | ESR1 (0.48) | ESR1ESR2ALDH1A1HTTMAPK14 | |
| SCHEMBL2606130 | 0.82 | BCAT2 (0.38) | ESR1ESR2ALDH1A1HTTMAPK14 | |
| SCHEMBL2605973 | 0.77 | VNN1 (0.41) | ESR1ESR2MAPK14MAPK11MAPK13 | |
| SCHEMBL12864226 | 0.76 | ALDH1A1 (0.44) | ESR1ESR2ALDH1A1MAPK14MEN1 | |
| SCHEMBL132972 | 0.76 | ALDH1A1 (0.48) | ESR1ESR2ALDH1A1HTTMAPK14 | |
| SCHEMBL12864298 | 0.76 | BCAT2 (0.44) | ESR1ESR2ALDH1A1MAPK14MAPK11 | |
| SCHEMBL12864215 | 0.76 | ESR1 (0.46) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL2605937 | 0.75 | CHRM5 (0.37) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL2605984 | 0.74 | ALDH1A1 (0.48) | ESR1ESR2ALDH1A1HTTMEN1 | |
| SCHEMBL10053610 | 0.73 | PDK2 (0.40) | ESR1ESR2MEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2260023-B1 | FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2012-04-25 | — | — | EP | disclosed |
| WO-2009124627-A1 | FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |