Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.37 |
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL7024984 | 0.93 | ESR2 (0.38) | FFAR4ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL7027476 | 0.91 | CYP2C9 (0.44) | CA2FFAR4ESR2ESR1CYP2C9 | |
| SCHEMBL7029015 | 0.89 | ESR2 (0.39) | CA2FFAR4ESR2CYP2C9SPHK1 | |
| SCHEMBL7028218 | 0.86 | CA2 (0.39) | CA2FFAR4ESR2ESR1CYP2C9 | |
| SCHEMBL7033090 | 0.86 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4TRPV3 | |
| SCHEMBL7031164 | 0.83 | CYP2C9 (0.46) | FFAR4ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL7027062 | 0.83 | ESR2 (0.39) | CA2FFAR4ESR2ESR1CYP2C9 | |
| SCHEMBL7026576 | 0.82 | ESR2 (0.40) | FFAR4ESR2CYP2C9SPHK1DGAT1 | |
| SCHEMBL7028335 | 0.82 | CA2 (0.38) | CA2FFAR4ESR2 | |
| SCHEMBL7025913 | 0.81 | ESR2 (0.39) | ESR2ESR1CYP2C9CYP3A4TRPV3 |
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 |