Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9160934 | 0.98 | ITGB3 (0.39) | ITGB3ITGA2BSLC2A1HRH3HRH2 | |
| SCHEMBL9164031 | 0.97 | ITGB3 (0.41) | ITGB3ITGA2BSLC2A1HRH3HRH2 | |
| SCHEMBL9166941 | 0.95 | ITGB3 (0.40) | ITGB3ITGA2BSLC2A1HRH3ITGAV | |
| SCHEMBL9160844 | 0.95 | ITGB3 (0.40) | ITGB3ITGA2BSLC2A1HRH3ITGAV | |
| SCHEMBL9164049 | 0.95 | ITGB3 (0.40) | ITGB3ITGA2BSLC2A1HRH3ITGAV | |
| SCHEMBL9162253 | 0.92 | SLC2A1 (0.37) | ITGB3ITGA2BSLC2A1HRH3HRH2 | |
| SCHEMBL9467546 | 0.92 | ACACB (0.35) | ITGB3ITGA2BSLC2A1HRH3ACACB | |
| SCHEMBL9163968 | 0.92 | CYP1A2 (0.36) | HRH3ACACBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9164408 | 0.91 | SLC2A1 (0.39) | ITGB3ITGA2BSLC2A1HRH3NR5A1 | |
| SCHEMBL9159226 | 0.91 | ACACB (0.36) | ITGB3ITGA2BHRH3ACACB |
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 |