Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 13/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8921688 | 1.00 | SLC6A4 (0.49) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL8921676 | 1.00 | SLC6A4 (0.49) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL8921684 | 0.91 | SLC6A3 (0.50) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL10778007 | 0.89 | SLC6A4 (0.46) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL7760357 | 0.87 | SLC6A3 (0.53) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL10780290 | 0.84 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2OPRM1OPRD1 | |
| SCHEMBL6524968 | 0.82 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL28624808 | 0.79 | SLC6A4 (0.67) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6524970 | 0.77 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| Ethylene SCHEMBL28629416 | 0.77 | SLC6A4 (0.63) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5595686-A | Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-01-21 | — | — | US | disclosed |