Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 2/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7770283 | 1.00 | CYP17A1 (0.33) | CYP17A1CYP11B1CYP11B2GPR84KCNH2 | |
| SCHEMBL7770251 | 0.94 | KDM1A (0.33) | GPR84RARBS1PR1 | |
| SCHEMBL7770254 | 0.94 | KDM1A (0.33) | GPR84RARBS1PR1 | |
| SCHEMBL7766387 | 0.86 | RARB (0.42) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL7766389 | 0.86 | RARB (0.42) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL8021447 | 0.86 | RARB (0.42) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL8021444 | 0.86 | RARB (0.42) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL8021369 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL8021366 | 0.85 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84HRH3 | |
| SCHEMBL8015140 | 0.85 | OPRL1 (0.32) | — |
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 |