Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | KCNJ1 | P48048 | 10/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9590736 | 0.76 | KCNJ1 (0.56) | SIGMAR1KCNJ1KCNH2HRH3HTR2A | |
| SCHEMBL9592157 | 0.75 | KCNJ1 (0.57) | SIGMAR1KCNJ1KCNH2HRH3HTR2A | |
| SCHEMBL9308020 | 0.75 | SIGMAR1 (0.98) | SIGMAR1KCNJ1KCNH2 | |
| SCHEMBL9307721 | 0.75 | SIGMAR1 (0.98) | SIGMAR1KCNJ1KCNH2 | |
| SCHEMBL9592302 | 0.74 | SIGMAR1 (0.45) | SIGMAR1HRH3 | |
| SCHEMBL2731306 | 0.74 | KCNJ1 (1.00) | SIGMAR1KCNJ1KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL9590458 | 0.74 | KCNJ1 (0.56) | SIGMAR1KCNJ1KCNH2HRH3HTR2A | |
| SCHEMBL9235484 | 0.73 | KCNJ1 (0.74) | SIGMAR1KCNJ1KCNH2HRH3HTR2A | |
| SCHEMBL8914201 | 0.73 | KCNH2 (0.59) | SIGMAR1KCNJ1KCNH2HRH3HTR2A | |
| SCHEMBL3526680 | 0.72 | KCNJ1 (0.87) | SIGMAR1KCNJ1KCNH2HRH3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5215989-A | Nitrogen-containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1993-06-01 | — | — | US | claimed |
| EP-0431945-A2 | Antiarrhythmic agents | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |
| US-5215989-A | Nitrogen-containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1993-06-01 | — | — | US | disclosed |
| US-5032598-A | Nitrogens containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0431945-A2 | Antiarrhythmic agents | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |