Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8831738 | 0.89 | KCNH2 (0.72) | KCNH2CYP11B2HTR2AKCNJ1 | |
| SCHEMBL8831813 | 0.89 | KCNH2 (0.72) | KCNH2CYP11B2HTR2AKCNJ1 | |
| SCHEMBL7388074 | 0.89 | KCNH2 (0.72) | KCNH2CYP11B2HTR2AKCNJ1 | |
| Hydrochloric Acid SCHEMBL9227313 | 0.88 | KCNH2 (0.71) | KCNH2CYP11B2HTR2AKCNJ1 | |
| Hydrochloric Acid SCHEMBL7359216 | 0.88 | KCNH2 (0.71) | KCNH2CYP11B2HTR2AKCNJ1 | |
| Hydrochloric Acid SCHEMBL9227094 | 0.88 | KCNH2 (0.71) | KCNH2CYP11B2HTR2AKCNJ1 | |
| Hydrochloric Acid SCHEMBL6369601 | 0.87 | KCNH2 (0.70) | KCNH2CYP11B2HTR2AKCNJ1 | |
| SCHEMBL8569281 | 0.87 | KCNH2 (0.62) | KCNH2EPHX2EPHX1CYP11B2HTR2A | |
| SCHEMBL8804765 | 0.86 | KCNH2 (0.53) | KCNH2EPHX2EPHX1CYP11B2HTR2A | |
| Hydrochloric Acid SCHEMBL8806196 | 0.85 | KCNH2 (0.52) | KCNH2EPHX2EPHX1CYP11B2HTR2A |
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 6 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 | claimed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |
| 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 |