Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL8027624 | 0.91 | CYP3A4 (0.37) | CYP3A4CYP2C9APPPDK2S1PR4 | |
| SCHEMBL8398342 | 0.83 | P2RY14 (0.33) | CYP3A4 | |
| SCHEMBL8398345 | 0.83 | P2RY14 (0.33) | CYP3A4 | |
| SCHEMBL8020721 | 0.81 | HTR2A (0.37) | — | |
| SCHEMBL8020717 | 0.81 | HTR2A (0.37) | — | |
| SCHEMBL8653173 | 0.81 | CYP3A4 (0.35) | CYP3A4CYP2C9APPPDK2EPHX2 | |
| SCHEMBL8026799 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP2C9APPHTR1DHSP90AA1 | |
| SCHEMBL8656967 | 0.77 | CYP3A4 (0.37) | CYP3A4CYP2C9APPPDK2S1PR1 | |
| SCHEMBL8030136 | 0.76 | HTR2A (0.35) | — | |
| SCHEMBL8030143 | 0.76 | HTR2A (0.35) | — |
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 2 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 |
| 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 |