Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CEL | P19835 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | NMT1 | P30419 | 3/20 | 0.32 |
| ▸ | MOGAT2 | Q3SYC2 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL7766207 | 0.79 | NMT1 (0.30) | NMT1 | |
| SCHEMBL7767049 | 0.78 | S1PR1 (0.36) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7767050 | 0.78 | S1PR1 (0.36) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7767044 | 0.78 | S1PR1 (0.36) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7762567 | 0.78 | DAO (0.40) | — | |
| SCHEMBL21113145 | 0.77 | HTR2A (0.39) | SLC6A2SLC6A4SLC6A3CELHTR2A | |
| SCHEMBL7767963 | 0.77 | MAOB (0.42) | CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL10708160 | 0.77 | S1PR1 (0.41) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL10708166 | 0.77 | S1PR1 (0.41) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9192432 | 0.76 | CYP3A4 (0.41) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 |
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-0727428-B1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHINETSU CHEMICAL CO (JP) | 2001-06-06 | — | — | EP | disclosed |
| US-5665271-A | Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-09-09 | — | — | US | disclosed |
| EP-0727428-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-21 | — | — | EP | disclosed |