Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL2269194 | 0.89 | HRH3 (0.49) | HRH3HRH1CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL2223911 | 0.89 | HRH3 (0.49) | HRH3HRH1CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL1789947 | 0.87 | HRH3 (0.52) | HRH3HRH1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2275230 | 0.86 | HRH3 (0.55) | HRH3HRH1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2264905 | 0.85 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL1787184 | 0.83 | HRH3 (0.51) | HRH3HRH1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL1789860 | 0.83 | HRH3 (0.52) | HRH3HRH1TP53CYP1A2CYP2C9 | |
| SCHEMBL2347977 | 0.80 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL2270394 | 0.80 | HRH3 (0.49) | HRH3HRH1CYP2D6 | |
| SCHEMBL2269745 | 0.80 | HRH3 (0.49) | HRH3HRH1PRKAB2PRKAG1PRKAA2 |
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 |