Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2221314 | 1.00 | HRH3 (0.44) | HRH3HRH1AOC3HTR2CKCNH2 | |
| SCHEMBL2361833 | 0.89 | ADRA1A (0.46) | HRH3HRH1ADRA1ACYP2D6 | |
| SCHEMBL2347977 | 0.84 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL2365248 | 0.84 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL2270394 | 0.84 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL2264905 | 0.83 | HRH3 (0.49) | HRH3HRH1HTR2CKCNH2MCHR1 | |
| SCHEMBL2269118 | 0.81 | HRH3 (0.50) | HRH3HRH1HTR2CKCNH2MCHR1 | |
| SCHEMBL12418545 | 0.76 | HRH3 (0.51) | HRH3HRH1AOC3CYP2D6 | |
| SCHEMBL12418544 | 0.76 | HRH3 (0.51) | HRH3HRH1AOC3CYP2D6 | |
| SCHEMBL1790797 | 0.76 | HRH3 (0.55) | HRH3HRH1AOC3CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |