Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.40 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.32 |
| ▸ | HTR2C | P28335 | 4/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7026843 | 0.90 | ESR2 (0.40) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL7027206 | 0.90 | PANK3 (0.34) | ESR2PANK3KDM5AKDM4CKDM5B | |
| SCHEMBL7034717 | 0.86 | ESR2 (0.38) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL7030986 | 0.86 | ESR2 (0.38) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL7024347 | 0.84 | FFAR4 (0.36) | ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL7033048 | 0.84 | ESR2 (0.36) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL7030677 | 0.84 | ESR2 (0.36) | ESR2 | |
| SCHEMBL7032808 | 0.84 | ESR2 (0.42) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL7029269 | 0.84 | CYP2C9 (0.46) | ESR2PANK3ESR1CYP2C9CYP3A4 | |
| SCHEMBL8517388 | 0.83 | ESR2 (0.36) | ESR2ESR1CYP2C9CYP3A4HTR2A |
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 |