Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9451748 | 0.90 | SIGMAR1 (0.69) | SIGMAR1HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL8913627 | 0.81 | ADRA1D (0.58) | SIGMAR1KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8914201 | 0.73 | KCNH2 (0.59) | SIGMAR1HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL29922137 | 0.73 | THRB (0.61) | ADRA1DADRA1AADRA1BTHRBHRH3 | |
| SCHEMBL16026529 | 0.73 | THRB (0.61) | ADRA1DADRA1AADRA1BTHRBHRH3 | |
| SCHEMBL8913027 | 0.71 | ADRA1D (0.72) | SIGMAR1HTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL18601404 | 0.71 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL12359541 | 0.71 | THRB (0.56) | SIGMAR1ADRA1DADRA1AADRA1BOPRM1 | |
| SCHEMBL8913142 | 0.71 | ADRA1D (0.60) | SIGMAR1HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL9592302 | 0.70 | SIGMAR1 (0.45) | SIGMAR1THRBHRH3TP53CYP2D6 |
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 |