Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8565854 | 0.83 | ADRA1D (0.67) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8566160 | 0.83 | ADRA1D (0.67) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8566476 | 0.82 | KCNH2 (0.53) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8914277 | 0.82 | ADRA1D (0.44) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8914715 | 0.81 | ADRA1D (0.43) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8914098 | 0.80 | ADRA1D (0.42) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8564448 | 0.78 | KCNH2 (0.75) | ADRA1DKCNH2ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8914789 | 0.77 | ADRA1D (0.41) | ADRA1DKCNH2ADRA1AADRA1B | |
| SCHEMBL8568665 | 0.76 | PKM (0.44) | KCNH2HTR2A | |
| SCHEMBL8913489 | 0.75 | EPHX2 (0.53) | KCNH2HTR2ADRD2HTR2C |
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 |