Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7773901 | 0.95 | RARB (0.40) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7773902 | 0.95 | RARB (0.40) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7766351 | 0.91 | RARB (0.40) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7766357 | 0.91 | RARB (0.40) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7771873 | 0.87 | TSHR (0.42) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7771875 | 0.87 | TSHR (0.42) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7773879 | 0.87 | SPHK1 (0.41) | RARBSPHK1SPHK2 | |
| SCHEMBL7773880 | 0.87 | SPHK1 (0.41) | RARBSPHK1SPHK2 | |
| SCHEMBL7769674 | 0.87 | RARB (0.42) | RARBSPHK1CYP3A4APPCYP2C9 | |
| SCHEMBL7769671 | 0.87 | RARB (0.42) | RARBSPHK1CYP3A4APPCYP2C9 |
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-0676402-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2001-07-04 | — | — | EP | disclosed |
| US-5578244-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0676402-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-10-11 | — | — | EP | disclosed |