Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406760 | 1.00 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL9406752 | 1.00 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL3485266 | 0.92 | — | — | |
| SCHEMBL13164699 | 0.92 | — | — | |
| SCHEMBL155951 | 0.92 | — | — | |
| SCHEMBL16191111 | 0.86 | CYP1A2 (0.33) | LMNAMAPK1HTTHRH1 | |
| SCHEMBL9815717 | 0.86 | ESR2 (0.41) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9406502 | 0.84 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL9406508 | 0.84 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL9406494 | 0.84 | EPHX2 (0.38) | EPHX2ESR1ESR2CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0355552-B1 | Alkoxymethyl- and alkenyloxymethyl-cyclohexanes | HOFFMANN LA ROCHE (CH) | 1994-02-23 | — | — | EP | disclosed |
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0355552-A2 | Alkoxymethyl- and alkenyloxymethyl-cyclohexanes | F. HOFFMANN-LA ROCHE AG (CH) | 1990-02-28 | — | — | EP | disclosed |