Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.30 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7023044 | 0.96 | CYP1A2 (0.33) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7024657 | 0.91 | TLR4 (0.32) | CYP2C9NPC1 | |
| SCHEMBL8748254 | 0.89 | CYP3A4 (0.31) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7030996 | 0.88 | NPC1 (0.32) | NPC1 | |
| SCHEMBL7031562 | 0.86 | MEN1 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8454788 | 0.85 | MEN1 (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7516521 | 0.85 | MEN1 (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7757321 | 0.85 | MEN1 (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7031110 | 0.84 | S1PR1 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7026073 | 0.84 | RARB (0.43) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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 |