Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 13/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.41 |
| ▸ | KLK1 | P06870 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2347977 | 1.00 | HRH3 (0.49) | HRH3HRH1KLKB1KLK1ADRA2C | |
| SCHEMBL2270394 | 1.00 | HRH3 (0.49) | HRH3HRH1KLKB1KLK1ADRA2C | |
| SCHEMBL2266847 | 0.88 | HRH3 (0.50) | HRH3HRH1KLKB1KLK1CYP2D6 | |
| SCHEMBL2269495 | 0.88 | HRH3 (0.50) | HRH3HRH1KLKB1KLK1CYP2D6 | |
| SCHEMBL1787838 | 0.88 | HRH3 (0.49) | HRH3KLKB1KLK1 | |
| SCHEMBL1788393 | 0.88 | HRH3 (0.49) | HRH3KLKB1KLK1 | |
| SCHEMBL1787839 | 0.88 | HRH3 (0.49) | HRH3KLKB1KLK1 | |
| SCHEMBL2268792 | 0.86 | HRH3 (0.47) | HRH3HRH1KLKB1KLK1 | |
| SCHEMBL1787502 | 0.84 | HRH3 (0.45) | HRH3HRH1KLKB1KLK1 | |
| SCHEMBL1788640 | 0.84 | HRH3 (0.45) | HRH3HRH1KLKB1KLK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |