Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.56 |
| ▸ | HTR2A | P28223 | 4/20 | 0.56 |
| ▸ | HTR2C | P28335 | 4/20 | 0.56 |
| ▸ | HTR2B | P41595 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914076 | 0.91 | KCNH2 (0.51) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL8913369 | 0.81 | SIGMAR1 (0.56) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL8913831 | 0.78 | HTR2A (0.42) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL10360469 | 0.77 | DRD2 (0.56) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL8915989 | 0.76 | MET (0.43) | SIGMAR1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL8912504 | 0.75 | MET (0.42) | SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL8568967 | 0.75 | KCNH2 (0.79) | KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL8912499 | 0.75 | ADRA1D (0.67) | SIGMAR1KCNH2ADRA1DADRA1AADRA1B | |
| SCHEMBL6836332 | 0.74 | SIGMAR1 (0.71) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL8920931 | 0.73 | KCNH2 (0.44) | DRD2KCNH2ADRA1DADRA1A |
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 |