Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 17/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 16/20 | 0.79 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.74 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2731306 | 0.89 | KCNJ1 (1.00) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL3156895 | 0.85 | HRH3 (1.00) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL5653299 | 0.85 | HRH3 (0.93) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL914324 | 0.84 | HRH3 (0.97) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL3156570 | 0.84 | HRH3 (0.97) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL5675358 | 0.84 | KDM4E (0.67) | KCNJ1KCNH2SIGMAR1 | |
| SCHEMBL11029533 | 0.83 | KCNJ1 (0.81) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| SCHEMBL3526680 | 0.83 | KCNJ1 (0.87) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| Water SCHEMBL10361432 | 0.81 | KCNJ1 (0.68) | KCNJ1KCNH2HRH3SIGMAR1MAOA | |
| Water SCHEMBL10361433 | 0.81 | KCNJ1 (0.68) | KCNJ1KCNH2HRH3SIGMAR1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |