Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8455937 | 0.98 | DNM1 (0.34) | PTGS2CES2CES1DNM1ALDH1A1 | |
| SCHEMBL8026466 | 0.87 | TP53 (0.30) | TP53 | |
| SCHEMBL8021126 | 0.86 | HRH3 (0.38) | ALDH1A1KCNH2 | |
| SCHEMBL8003567 | 0.84 | KCNH2 (0.34) | SIGMAR1KCNH2 | |
| SCHEMBL8034665 | 0.81 | CES2 (0.33) | PTGS2CES2CES1HPGDEPHX2 | |
| SCHEMBL8027900 | 0.80 | PTGS1 (0.35) | PTGS2CES2CES1EPHX2PKM | |
| SCHEMBL7760259 | 0.78 | KCNH2 (0.34) | KCNH2 | |
| SCHEMBL7763766 | 0.77 | KCNH2 (0.36) | MEN1KMT2AKCNH2 | |
| SCHEMBL8073703 | 0.77 | KCNH2 (0.39) | CES2CES1KCNH2 | |
| SCHEMBL9272010 | 0.77 | LMNA (0.33) | SIGMAR1MEN1KMT2AKCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682031-B1 | Silacyclohexane-based carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHINETSU CHEMICAL CO (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-6004478-A | LIQUID CRYSTAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-21 | — | — | US | disclosed |
| US-5730901-A | Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0742222-A2 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0732335-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |
| US-5527490-A | Silacyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0682031-A1 | Silacyclohexane carbaldehyde compounds and processes for preparing silycyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-11-15 | — | — | EP | disclosed |