Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563973 | 0.84 | KCNH2 (0.48) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| SCHEMBL13036359 | 0.78 | KCNJ1 (0.49) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| SCHEMBL5260253 | 0.77 | MEN1 (0.38) | ALDH1A1TSHRMAPK1HSD17B10PIK3CD | |
| SCHEMBL7987118 | 0.75 | KCNJ1 (0.46) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| SCHEMBL4952656 | 0.74 | CA2 (0.58) | ALDH1A1ALOX15TSHRCA2CA9 | |
| SCHEMBL10102227 | 0.74 | KCNJ1 (0.49) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| SCHEMBL14042217 | 0.73 | KCNJ1 (0.45) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL661067 | 0.73 | PKM (0.50) | KCNJ1KCNH2ALDH1A1ALOX15TSHR | |
| SCHEMBL8063113 | 0.71 | CA2 (0.45) | ALDH1A1ALOX15TSHRNR3C1CA2 | |
| SCHEMBL2056122 | 0.71 | KCNJ1 (0.53) | KCNJ1KCNH2ALDH1A1ALOX15TSHR |
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 | 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 |
| US-5112824-A | Benzofurazan compounds | MERCK & CO., INC. (US) | 1992-05-12 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |