Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8005583 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8022526 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8997231 | 0.83 | CYP2C9 (0.44) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8997238 | 0.83 | CYP2C9 (0.44) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL12917710 | 0.82 | CYP3A4 (0.49) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL16317705 | 0.81 | FASN (0.47) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8997301 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8997295 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL8990839 | 0.80 | FFAR4 (0.40) | CYP3A4CYP2C9APPCYP2C19CYP2D6 | |
| SCHEMBL7765289 | 0.80 | HTR2A (0.40) | CYP3A4CYP2C9CYP2D6ESR2ESR1 |
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-0670322-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2000-01-19 | — | — | EP | disclosed |
| US-5582764-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0670322-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-09-06 | — | — | EP | disclosed |