Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7767769 | 1.00 | HCRTR1 (0.33) | HCRTR1HCRTR2KCNH2ITGB3ITGA2B | |
| SCHEMBL7767766 | 1.00 | HCRTR1 (0.33) | HCRTR1HCRTR2KCNH2ITGB3ITGA2B | |
| SCHEMBL8432626 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2P2RX7EPHX2 | |
| SCHEMBL7762651 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2P2RX7EPHX2 | |
| SCHEMBL7762644 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2P2RX7EPHX2 | |
| SCHEMBL7762655 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2P2RX7EPHX2 | |
| SCHEMBL8432624 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2P2RX7EPHX2 | |
| SCHEMBL7762512 | 0.94 | HCRTR1 (0.35) | HCRTR1HCRTR2KCNH2ITGB3ITGA2B | |
| SCHEMBL7762514 | 0.94 | HCRTR1 (0.35) | HCRTR1HCRTR2KCNH2ITGB3ITGA2B | |
| SCHEMBL7765309 | 0.89 | KDM1A (0.34) | ITGB3ITGA2BCYP3A4CYP2C8CYP2D6 |
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-0727428-B1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHINETSU CHEMICAL CO (JP) | 2001-06-06 | — | — | EP | disclosed |
| US-5665271-A | Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-09-09 | — | — | US | disclosed |
| EP-0727428-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-21 | — | — | EP | disclosed |