Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 5/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114719 | 0.88 | KCNH2 (0.55) | ADRA1DKCNH2ADRA1AADRA1BDGAT1 | |
| SCHEMBL9113519 | 0.86 | HRH3 (0.44) | KCNH2 | |
| SCHEMBL8567008 | 0.84 | ADRA1D (0.55) | ADRA1DKCNH2ADRA1AADRA1BEPHX2 | |
| Hydrochloric Acid SCHEMBL8831700 | 0.83 | ADRA1D (0.55) | ADRA1DKCNH2ADRA1AADRA1BEPHX2 | |
| SCHEMBL9114080 | 0.82 | KCNH2 (0.59) | ADRA1DKCNH2 | |
| SCHEMBL9112284 | 0.79 | KCNH2 (0.47) | KCNH2 | |
| SCHEMBL8564005 | 0.79 | ADRA1D (0.66) | ADRA1DKCNH2ADRA1AADRA1BDGAT1 | |
| SCHEMBL8832305 | 0.79 | KCNH2 (0.59) | ADRA1DKCNH2ADRA1AADRA1BDGAT1 | |
| SCHEMBL9115004 | 0.78 | KCNH2 (0.40) | KCNH2 | |
| SCHEMBL9114263 | 0.78 | KCNH2 (0.38) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | claimed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | claimed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |