Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 11/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL7769645 | 1.00 | KDM1A (0.33) | KDM1AFFAR4CYP3A4APPCYP2C9 | |
| SCHEMBL7771561 | 0.94 | KDM1A (0.36) | KDM1AFFAR4CYP3A4APPCYP2C9 | |
| SCHEMBL7771562 | 0.94 | KDM1A (0.36) | KDM1AFFAR4CYP3A4APPCYP2C9 | |
| SCHEMBL7766357 | 0.88 | RARB (0.40) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7766351 | 0.88 | RARB (0.40) | CYP3A4APPCYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7771859 | 0.87 | RARB (0.35) | FFAR4CYP3A4APPCYP2C9CYP2D6 | |
| SCHEMBL7771857 | 0.87 | RARB (0.35) | FFAR4CYP3A4APPCYP2C9CYP2D6 | |
| SCHEMBL7770251 | 0.82 | KDM1A (0.33) | KDM1AFFAR4RARBS1PR1S1PR3 | |
| SCHEMBL7770254 | 0.82 | KDM1A (0.33) | KDM1AFFAR4RARBS1PR1S1PR3 | |
| SCHEMBL7773922 | 0.82 | CYP3A4 (0.32) | CYP3A4APPCYP2C9CYP2D6CYP2C19 |
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 |