Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.35 |
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7033151 | 0.90 | CYP2C9 (0.44) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7033088 | 0.88 | FFAR4 (0.35) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7029162 | 0.87 | CYP2C9 (0.36) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7024982 | 0.86 | NAAA (0.36) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL765799 | 0.83 | ALDH1A1 (0.39) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8378001 | 0.83 | ALDH1A1 (0.39) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7031024 | 0.83 | ESR2 (0.35) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8388231 | 0.82 | — | — | |
| SCHEMBL7032790 | 0.82 | OPRL1 (0.33) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL7030370 | 0.82 | — | — |
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-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |