Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 2/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL9164402 | 0.97 | PDE2A (0.32) | PDE2ALSSHDAC3HDAC1HDAC2 | |
| SCHEMBL9465202 | 0.91 | HDAC3 (0.38) | PDE2ALSSHDAC3HDAC1HDAC2 | |
| SCHEMBL9160756 | 0.89 | PDE2A (0.34) | PDE2AEPHX2CCR5KDM1ARCOR1 | |
| SCHEMBL9160655 | 0.87 | ALDH1A1 (0.34) | SLC6A4SLC6A3TSHR | |
| SCHEMBL9160934 | 0.87 | ITGB3 (0.39) | SLC6A4 | |
| SCHEMBL9164031 | 0.86 | ITGB3 (0.41) | SLC6A4 | |
| SCHEMBL9467546 | 0.86 | ACACB (0.35) | — | |
| SCHEMBL9160844 | 0.85 | ITGB3 (0.40) | SLC6A4TSHR | |
| SCHEMBL9159226 | 0.85 | ACACB (0.36) | — | |
| SCHEMBL9158947 | 0.85 | ITGB3 (0.38) | SLC6A4 |
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-0442306-B1 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-04-12 | — | — | EP | disclosed |
| US-5204018-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| EP-0442306-A2 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | F. Hoffmann-La Roche AG (CH) | 1991-08-21 | — | — | EP | disclosed |