Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.44 |
| ▸ | KLK1 | P06870 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2269495 | 1.00 | HRH3 (0.50) | HRH3HRH1ADRA1AKLKB1KLK1 | |
| SCHEMBL2223790 | 0.89 | ADRA1A (0.56) | HRH3ADRA1AKLKB1KLK1 | |
| SCHEMBL2267473 | 0.89 | ADRA1A (0.56) | HRH3ADRA1AKLKB1KLK1 | |
| SCHEMBL2365248 | 0.88 | HRH3 (0.49) | HRH3HRH1KLKB1KLK1CYP2D6 | |
| SCHEMBL2347977 | 0.88 | HRH3 (0.49) | HRH3HRH1KLKB1KLK1CYP2D6 | |
| SCHEMBL2270394 | 0.88 | HRH3 (0.49) | HRH3HRH1KLKB1KLK1CYP2D6 | |
| SCHEMBL2361833 | 0.85 | ADRA1A (0.46) | HRH3HRH1ADRA1ACYP2D6 | |
| SCHEMBL2189204 | 0.85 | DGAT2 (0.47) | HRH3HRH1ADRA1AKLKB1KLK1 | |
| SCHEMBL2194547 | 0.85 | DGAT2 (0.47) | HRH3HRH1ADRA1AKLKB1KLK1 | |
| SCHEMBL2191783 | 0.82 | HRH3 (0.47) | HRH3HRH1ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | claimed |
| 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 |