Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 6/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL267691 | 0.82 | ADRA1D (0.51) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8568967 | 0.82 | KCNH2 (0.79) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL261039 | 0.82 | ADRA1D (0.50) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL261040 | 0.82 | ADRA1D (0.50) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL267719 | 0.82 | ADRA1D (0.50) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL261226 | 0.81 | ADRA1D (0.48) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL261225 | 0.81 | ADRA1D (0.48) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL281767 | 0.81 | ADRA1D (0.49) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8563789 | 0.79 | KCNH2 (0.74) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8567595 | 0.79 | KCNH2 (0.74) | ADRA1DKCNH2ADRA1AADRA1B |
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 4 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 | 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 |