Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731331 | 1.00 | TSHR (0.37) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7731322 | 1.00 | TSHR (0.37) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7733765 | 0.97 | TSHR (0.36) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7733759 | 0.97 | TSHR (0.36) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7733768 | 0.97 | TSHR (0.36) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7731572 | 0.96 | TSHR (0.39) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7731577 | 0.96 | TSHR (0.39) | TSHRHDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL7722905 | 0.93 | MAOB (0.41) | HRH3MAOBALOX5PPARG | |
| SCHEMBL7722912 | 0.93 | MAOB (0.41) | HRH3MAOBALOX5PPARG | |
| SCHEMBL7722910 | 0.93 | MAOB (0.41) | HRH3MAOBALOX5PPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |