Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL7025913 | 0.92 | ESR2 (0.39) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7031070 | 0.90 | CYP2C9 (0.45) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7031720 | 0.88 | ESR2 (0.40) | ESR2CYP2C9DGAT1SOAT1SPHK1 | |
| SCHEMBL7028254 | 0.86 | CA2 (0.39) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7030180 | 0.83 | TRPV3 (0.34) | ESR2TRPV3 | |
| SCHEMBL13369630 | 0.83 | ALDH1A1 (0.38) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7033154 | 0.82 | CYP2C9 (0.47) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7022896 | 0.82 | ESR2 (0.39) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL7029164 | 0.82 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4DGAT1 | |
| SCHEMBL8378001 | 0.81 | ALDH1A1 (0.39) | ESR2ESR1CYP2C9CYP3A4DGAT1 |
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 |