Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7770312 | 1.00 | CYP17A1 (0.36) | CYP17A1CYP11B1CYP11B2SPHK1RARB | |
| SCHEMBL7757568 | 0.94 | CYP11B2 (0.34) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL7757564 | 0.94 | CYP11B2 (0.34) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL7771522 | 0.92 | SPHK1 (0.41) | CYP17A1CYP11B1CYP11B2SPHK1RARB | |
| SCHEMBL7771520 | 0.92 | SPHK1 (0.41) | CYP17A1CYP11B1CYP11B2SPHK1RARB | |
| SCHEMBL8951101 | 0.90 | CYP3A4 (0.35) | CYP11B1CYP11B2SPHK1RARB | |
| SCHEMBL8951098 | 0.90 | CYP3A4 (0.35) | CYP11B1CYP11B2SPHK1RARB | |
| SCHEMBL7773879 | 0.87 | SPHK1 (0.41) | SPHK1RARBRARARARGSPHK2 | |
| SCHEMBL7773880 | 0.87 | SPHK1 (0.41) | SPHK1RARBRARARARGSPHK2 | |
| SCHEMBL7756169 | 0.86 | CYP17A1 (0.31) | CYP17A1CYP11B1CYP11B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8092259-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H0892259-A | SILACYCLOHEXANE COMPOUND, ITS PRODUCTION OF LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | SHIN ETSU CHEM CO LTD | 1996-04-09 | — | — | JP | 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 |