Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.59 |
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | HTR2C | P28335 | 2/20 | 0.59 |
| ▸ | HTR2B | P41595 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | KCNJ1 | P48048 | 9/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL18601404 | 0.75 | SIGMAR1 (1.00) | KCNH2SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL8913236 | 0.74 | SIGMAR1 (0.64) | KCNH2SIGMAR1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL466805 | 0.74 | SIGMAR1 (1.00) | KCNH2SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL8913637 | 0.73 | SIGMAR1 (0.55) | KCNH2SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL2731306 | 0.73 | KCNJ1 (1.00) | KCNH2SIGMAR1KCNJ1HRH3 | |
| SCHEMBL9591663 | 0.73 | SIGMAR1 (0.59) | KCNH2SIGMAR1HTR2AKCNJ1HRH3 | |
| SCHEMBL12280675 | 0.72 | KCNJ1 (0.74) | KCNH2SIGMAR1KCNJ1HRH3 | |
| SCHEMBL9235484 | 0.72 | KCNJ1 (0.74) | KCNH2SIGMAR1HTR2AKCNJ1HRH3 | |
| SCHEMBL3526680 | 0.71 | KCNJ1 (0.87) | KCNH2SIGMAR1KCNJ1HRH3 | |
| SCHEMBL5653299 | 0.70 | HRH3 (0.93) | KCNH2SIGMAR1KCNJ1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |