Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 7/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9451723 | 0.83 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BKCNH2 | |
| Hydrochloric Acid SCHEMBL8565725 | 0.82 | ADRA1D (0.98) | ADRA1DADRA1AADRA1BKCNH2 | |
| Hydrochloric Acid SCHEMBL8566686 | 0.82 | ADRA1D (0.97) | ADRA1DADRA1AADRA1BKCNH2 | |
| SCHEMBL8567307 | 0.80 | KCNH2 (0.72) | ADRA1DADRA1AKCNH2 | |
| SCHEMBL8831725 | 0.80 | KCNH2 (0.50) | ADRA1DADRA1AADRA1BKCNH2 | |
| SCHEMBL8561881 | 0.80 | KCNH2 (0.50) | ADRA1DADRA1AADRA1BKCNH2 | |
| Hydrochloric Acid SCHEMBL8570236 | 0.80 | KCNH2 (0.71) | ADRA1DADRA1AKCNH2 | |
| SCHEMBL8912499 | 0.77 | ADRA1D (0.67) | ADRA1DADRA1AADRA1BKCNH2OPRM1 | |
| Hydrochloric Acid SCHEMBL8569021 | 0.76 | ADRA1D (0.81) | ADRA1DADRA1AADRA1BKCNH2 | |
| Hydrochloric Acid SCHEMBL8563959 | 0.76 | ADRA1D (0.79) | ADRA1DADRA1AADRA1BKCNH2 |
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 |