Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL8567782 | 0.88 | KCNH2 (0.50) | KCNH2HTR2ADRD2CYP11B2KCNJ1 | |
| Hydrochloric Acid SCHEMBL8564675 | 0.87 | KCNH2 (0.49) | KCNH2HTR2ADRD2CYP11B2KCNJ1 | |
| SCHEMBL8565644 | 0.87 | KCNH2 (0.68) | KCNH2HTR2ADRD2HRH3CYP11B2 | |
| SCHEMBL8565383 | 0.84 | KCNH2 (0.49) | KCNH2HTR2ADRD2HRH3CYP11B2 | |
| Hydrochloric Acid SCHEMBL8915805 | 0.82 | KCNH2 (0.44) | KCNH2HTR2ADRD2CYP11B2KCNJ1 | |
| SCHEMBL8569281 | 0.79 | KCNH2 (0.62) | KCNH2HTR2ADRD2HRH3CYP11B2 | |
| SCHEMBL8563993 | 0.78 | KCNH2 (0.77) | KCNH2HTR2ADRD2HRH3KCNJ1 | |
| SCHEMBL8831674 | 0.78 | KCNH2 (0.77) | KCNH2HTR2ADRD2HRH3KCNJ1 | |
| Hydrochloric Acid SCHEMBL8566121 | 0.77 | KCNH2 (0.76) | KCNH2HTR2ADRD2HRH3KCNJ1 | |
| SCHEMBL8569179 | 0.76 | KCNH2 (0.52) | KCNH2HTR2ADRD2CYP11B2KCNJ1 |
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 | 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 |