Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL8017687 | 1.00 | PTGS2 (0.33) | PTGS2PTGS1SPHK1NPC1RAB9A | |
| SCHEMBL8400111 | 0.96 | SPHK1 (0.33) | SPHK1CYP2C9KDM1ARCOR1DRD2 | |
| SCHEMBL8036209 | 0.96 | SPHK1 (0.33) | SPHK1CYP2C9KDM1ARCOR1DRD2 | |
| SCHEMBL8400108 | 0.96 | SPHK1 (0.33) | SPHK1CYP2C9KDM1ARCOR1DRD2 | |
| SCHEMBL8036204 | 0.96 | SPHK1 (0.33) | SPHK1CYP2C9KDM1ARCOR1DRD2 | |
| SCHEMBL7756333 | 0.91 | PTGS2 (0.33) | PTGS2PTGS1SPHK1NPC1RAB9A | |
| SCHEMBL7756330 | 0.91 | PTGS2 (0.33) | PTGS2PTGS1SPHK1NPC1RAB9A | |
| SCHEMBL7756657 | 0.87 | CTSC (0.30) | — | |
| SCHEMBL7756494 | 0.87 | CYP17A1 (0.31) | DRD2 | |
| SCHEMBL7756655 | 0.87 | CTSC (0.30) | — |
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 |