Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7762634 | 0.87 | HTR2A (0.40) | SCD5HTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL8014241 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8022526 | 0.86 | CYP3A4 (0.40) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL13345620 | 0.85 | PDE3B (0.37) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL13313465 | 0.85 | FASN (0.44) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL2741535 | 0.85 | FASN (0.44) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL18411541 | 0.84 | CYP3A4 (0.50) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL9008514 | 0.83 | KDM1A (0.36) | CYP3A4CYP2C9APPSCD5PTGS2 | |
| SCHEMBL8766769 | 0.80 | CYP3A4 (0.42) | PDE3BPDE3ACYP3A4CYP2C9APP | |
| SCHEMBL8766763 | 0.80 | CYP3A4 (0.42) | PDE3BPDE3ACYP3A4CYP2C9APP |
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 |