Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8568665 | 0.90 | PKM (0.44) | KCNH2 | |
| Hydrochloric Acid SCHEMBL8565340 | 0.89 | PKM (0.43) | KCNH2 | |
| SCHEMBL8914795 | 0.85 | HDAC3 (0.41) | ADRA1DKCNH2 | |
| Hydrochloric Acid SCHEMBL8912935 | 0.84 | HDAC3 (0.41) | ADRA1DKCNH2 | |
| SCHEMBL267585 | 0.84 | ADRA1D (0.56) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL261711 | 0.83 | ADRA1D (0.55) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL7849142 | 0.81 | ADRA1D (0.56) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8912790 | 0.81 | HTR6 (0.37) | — | |
| SCHEMBL8913639 | 0.80 | ADRA1D (0.46) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL4214545 | 0.75 | KDM4E (0.47) | KCNH2 |
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 |