Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.72 |
| ▸ | KCNJ1 | P48048 | 5/20 | 0.72 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733429 | 0.79 | KCNH2 (0.88) | KCNH2KCNJ1HRH3L3MBTL1L3MBTL3 | |
| SCHEMBL8568037 | 0.78 | KCNJ1 (0.43) | KCNH2KCNJ1HRH3L3MBTL1L3MBTL3 | |
| SCHEMBL297781 | 0.78 | KCNH2 (0.80) | KCNH2KCNJ1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL2731720 | 0.77 | KCNH2 (0.78) | KCNH2KCNJ1SIGMAR1 | |
| SCHEMBL8562251 | 0.77 | KCNH2 (0.78) | KCNH2KCNJ1SIGMAR1ALDH1A1NPSR1 | |
| SCHEMBL8352698 | 0.75 | L3MBTL1 (0.60) | HRH3L3MBTL1L3MBTL3SIGMAR1MEN1 | |
| SCHEMBL8565829 | 0.75 | SIGMAR1 (0.51) | HRH3L3MBTL1L3MBTL3SIGMAR1MEN1 | |
| SCHEMBL2731338 | 0.74 | KCNH2 (0.76) | KCNH2KCNJ1SIGMAR1MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9451775 | 0.73 | KCNH2 (0.58) | KCNH2KCNJ1SIGMAR1KMT2A | |
| SCHEMBL10233871 | 0.72 | KCNJ1 (1.00) | KCNH2KCNJ1HRH3SIGMAR1 |
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 |