Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | ESRRB | O95718 | 4/20 | 0.38 |
| ▸ | ESRRG | P62508 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8581098 | 0.95 | ESR2 (0.36) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL8579962 | 0.93 | ESR2 (0.39) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL8579961 | 0.93 | ESR2 (0.39) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL8579958 | 0.93 | ESR2 (0.39) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL7754639 | 0.91 | ESR2 (0.42) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL7754641 | 0.86 | RARB (0.38) | CYP2C9KCNH2 | |
| SCHEMBL8027799 | 0.86 | SPHK1 (0.37) | — | |
| SCHEMBL7755500 | 0.85 | ESR2 (0.36) | ESR2ESR1ESRRBESRRGCYP3A4 | |
| SCHEMBL7757549 | 0.84 | SPHK1 (0.33) | — | |
| SCHEMBL9010499 | 0.83 | DRD5 (0.33) | — |
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-0708107-B1 | Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHINETSU CHEMICAL CO (JP) | 2001-02-28 | — | — | EP | disclosed |
| US-5624601-A | Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0708107-A1 | Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-04-24 | — | — | EP | disclosed |