Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.62 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569819 | 0.85 | KCNH2 (0.69) | KCNH2KCNJ1ADRA1D | |
| Hydrochloric Acid SCHEMBL8563291 | 0.84 | KCNH2 (0.69) | KCNH2KCNJ1ADRA1D | |
| Hydrochloric Acid SCHEMBL8831679 | 0.83 | DRD2 (0.51) | KCNH2 | |
| SCHEMBL8567307 | 0.83 | KCNH2 (0.72) | KCNH2KCNJ1ADRA1D | |
| Hydrochloric Acid SCHEMBL8570236 | 0.82 | KCNH2 (0.71) | KCNH2KCNJ1ADRA1D | |
| SCHEMBL8564448 | 0.78 | KCNH2 (0.75) | KCNH2KCNJ1ADRA1D | |
| SCHEMBL8563023 | 0.76 | KCNH2 (1.00) | KCNH2ADRA1D | |
| Hydrochloric Acid SCHEMBL8912910 | 0.76 | KCNH2 (0.64) | KCNH2KCNJ1ADRA1D | |
| Hydrochloric Acid SCHEMBL8564930 | 0.76 | KCNH2 (0.98) | KCNH2ADRA1D | |
| Hydrochloric Acid SCHEMBL6375062 | 0.75 | KCNH2 (0.97) | KCNH2ADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | claimed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |
| 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 |