Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8415874 | 1.00 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4CHRM4 | |
| SCHEMBL8415914 | 0.85 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8415912 | 0.85 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8418656 | 0.84 | HTR2C (0.49) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8418654 | 0.84 | HTR2C (0.49) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8030016 | 0.84 | KDM1A (0.38) | HTR1ADRD2HTR2ADRD3DRD1 | |
| SCHEMBL8418649 | 0.83 | ESR2 (0.36) | ESR2ESR1CYP2C9CYP3A4OPRL1 | |
| SCHEMBL8418650 | 0.83 | ESR2 (0.36) | ESR2ESR1CYP2C9CYP3A4OPRL1 | |
| SCHEMBL7759925 | 0.81 | CYP2C9 (0.41) | ESR2ESR1CYP2C9CYP3A4CHRM4 | |
| SCHEMBL8416897 | 0.81 | CYP2C9 (0.41) | ESR2ESR1CYP2C9CYP3A4CHRM4 |
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-0648773-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5547606-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |
| EP-0648773-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-04-19 | — | — | EP | disclosed |