Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 17/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2662418 | 0.80 | CHEK2 (0.55) | HRH3KCNH2 | |
| SCHEMBL2662165 | 0.79 | HRH3 (0.79) | HRH3KCNH2 | |
| SCHEMBL4098927 | 0.78 | HRH3 (0.78) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL12061358 | 0.78 | HRH3 (0.78) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL4096055 | 0.78 | HRH3 (0.78) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| Oxalic Acid SCHEMBL9986807 | 0.77 | HRH3 (0.73) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| Water SCHEMBL25381549 | 0.77 | HRH3 (0.76) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| Water SCHEMBL25381550 | 0.77 | HRH3 (0.76) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL3789322 | 0.76 | CYP1B1 (0.67) | HRH3KCNH2 | |
| SCHEMBL4476652 | 0.74 | HRH3 (0.79) | HRH3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3068768-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073342-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | disclosed |