Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406353 | 1.00 | ESR1 (0.31) | ESR1CYP3A4CYP2C9ESR2NR1H2 | |
| SCHEMBL9406356 | 1.00 | ESR1 (0.31) | ESR1CYP3A4CYP2C9ESR2NR1H2 | |
| SCHEMBL8616249 | 0.93 | ESR1 (0.34) | ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL20511474 | 0.93 | ESR1 (0.34) | ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL19335820 | 0.88 | — | — | |
| SCHEMBL19445523 | 0.83 | NR1H2 (0.35) | NR1H2 | |
| SCHEMBL10107071 | 0.80 | JAK2 (0.31) | — | |
| SCHEMBL17253449 | 0.80 | JAK2 (0.31) | — | |
| SCHEMBL15890456 | 0.80 | ESR1 (0.41) | ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL131878 | 0.80 | — | — |
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 |