Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9008498 | 1.00 | CYP2C9 (0.33) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8019204 | 1.00 | CYP2C9 (0.33) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8019201 | 1.00 | CYP2C9 (0.33) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8441428 | 0.91 | CYP3A4 (0.34) | CYP2C9CYP3A4FASNAPPCYP2D6 | |
| SCHEMBL8441424 | 0.91 | CYP3A4 (0.34) | CYP2C9CYP3A4FASNAPPCYP2D6 | |
| SCHEMBL8021743 | 0.89 | CYP3A4 (0.36) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8021747 | 0.89 | CYP3A4 (0.36) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL9008508 | 0.89 | CYP3A4 (0.36) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8021750 | 0.89 | CYP3A4 (0.36) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL8021711 | 0.88 | — | — |
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 |