Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 3/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8636786 | 0.92 | TSHR (0.41) | TSHRHSD17B10CYP2A6PDE9AHRH3 | |
| SCHEMBL8636024 | 0.91 | TSHR (0.43) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8639817 | 0.89 | TSHR (0.46) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8638880 | 0.89 | TSHR (0.46) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8638437 | 0.89 | TSHR (0.46) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8635082 | 0.89 | TSHR (0.46) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8639863 | 0.89 | TSHR (0.46) | TSHRHSD17B10CYP2A6HRH3HRH2 | |
| SCHEMBL8640431 | 0.88 | CYP2A6 (0.37) | TSHRHSD17B10CYP2A6HRH3KIF11 | |
| SCHEMBL8638340 | 0.82 | ROCK1 (0.30) | — | |
| SCHEMBL8636717 | 0.81 | ALDH1A1 (0.30) | ALDH1A1 |
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-0571652-B1 | Liquid crystalline substituted dihydrobenzene derivatives | CITIZEN WATCH CO LTD (JP) | 1998-08-05 | — | — | EP | disclosed |
| US-5342546-A | Liquid crystal compositions | L.C.C. CONSULTANTS CO., LTD. (JP) | 1994-08-30 | — | — | US | disclosed |
| EP-0571652-A1 | Liquid crystalline substituted dihydrobenzene derivatives | L.C.C. CONSULTANTS CO., LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |