Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 1.00 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8564930 | 0.99 | KCNH2 (0.98) | KCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL6375062 | 0.98 | KCNH2 (0.97) | KCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8564769 | 0.92 | KCNH2 (0.84) | KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8571404 | 0.90 | KCNH2 (0.81) | KCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8567446 | 0.89 | KCNH2 (0.80) | KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8568967 | 0.89 | KCNH2 (0.79) | KCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8564696 | 0.89 | KCNH2 (0.79) | KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8571834 | 0.88 | KCNH2 (0.79) | KCNH2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8569463 | 0.87 | KCNH2 (0.78) | KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8649968 | 0.86 | KCNH2 (0.76) | KCNH2ADRA1DADRA1AADRA1B |
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-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| 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 |