Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7023044 | 0.92 | CYP1A2 (0.33) | NPC1CYP2C9 | |
| SCHEMBL7030996 | 0.92 | NPC1 (0.32) | NPC1 | |
| SCHEMBL7025201 | 0.91 | CYP3A4 (0.35) | NPC1CYP2C9 | |
| SCHEMBL7025808 | 0.88 | — | — | |
| SCHEMBL7030314 | 0.85 | CYP2C9 (0.41) | TLR4FYNCYP2C9 | |
| SCHEMBL7507334 | 0.84 | TLR4 (0.35) | TLR4FYNCYP2C9 | |
| SCHEMBL7525064 | 0.84 | TLR4 (0.35) | TLR4FYNCYP2C9 | |
| SCHEMBL7525081 | 0.84 | TLR4 (0.35) | TLR4FYNCYP2C9 | |
| SCHEMBL7020388 | 0.83 | — | — | |
| SCHEMBL7029159 | 0.83 | NPC1 (0.30) | NPC1 |
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 |