Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9159054 | 0.90 | GAA (0.31) | GAAMAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9159027 | 0.89 | SLC6A2 (0.34) | GRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9163999 | 0.89 | ESR1 (0.36) | GRM2MAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9167118 | 0.89 | SLC6A2 (0.42) | GRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9465906 | 0.89 | GAA (0.30) | GAAMAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9162924 | 0.87 | TLR4 (0.30) | — | |
| SCHEMBL9465442 | 0.86 | TYR (0.33) | — | |
| SCHEMBL9160934 | 0.86 | ITGB3 (0.39) | SLC6A4HRH3 | |
| SCHEMBL9160655 | 0.86 | ALDH1A1 (0.34) | GRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9467546 | 0.85 | ACACB (0.35) | MAPTHRH3 |
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 |