Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27707711 | 0.86 | EPHX2 (0.55) | TSHR | |
| SCHEMBL1270832 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL10522486 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL7744532 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL5250954 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL1270995 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL7744530 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL5250950 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL620469 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 | |
| SCHEMBL1270831 | 0.83 | SLC7A5 (0.51) | ESR1LMNATSHRMAPK1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3322400-A1 | COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |
| CN-101437579-B | Antioxidant agent | MERCK PATENT GMBH | 2012-11-21 | — | — | CN | disclosed |
| CN-101437579-A | Antioxidant agent | MERCK PATENT GMBH (DE) | 2009-05-20 | — | — | CN | disclosed |