Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 4/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8831700 | 0.99 | ADRA1D (0.55) | ADRA1DKCNH2DRD2HTR2AEPHX2 | |
| SCHEMBL8832305 | 0.95 | KCNH2 (0.59) | ADRA1DKCNH2DRD2HTR2AADRA1A | |
| Hydrochloric Acid SCHEMBL8832204 | 0.94 | KCNH2 (0.58) | ADRA1DKCNH2DRD2HTR2AADRA1A | |
| SCHEMBL8831650 | 0.91 | KCNH2 (0.56) | ADRA1DKCNH2DRD2HTR2AADRA1A | |
| Hydrochloric Acid SCHEMBL8831670 | 0.91 | KCNH2 (0.55) | ADRA1DKCNH2DRD2HTR2AADRA1A | |
| SCHEMBL7388074 | 0.88 | KCNH2 (0.72) | ADRA1DKCNH2HTR2AADRA1AADRA1B | |
| SCHEMBL8831738 | 0.88 | KCNH2 (0.72) | ADRA1DKCNH2HTR2AADRA1AADRA1B | |
| SCHEMBL8831813 | 0.88 | KCNH2 (0.72) | ADRA1DKCNH2HTR2AADRA1AADRA1B | |
| SCHEMBL8831682 | 0.88 | KCNH2 (0.55) | ADRA1DKCNH2EPHX2EPHX1SCN5A | |
| Hydrochloric Acid SCHEMBL8832193 | 0.88 | KCNH2 (0.54) | ADRA1DKCNH2EPHX2EPHX1SCN5A |
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 4 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 | 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 |