Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 5/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913637 | 0.81 | SIGMAR1 (0.55) | ADRA1DADRA1AKCNH2CYP2D6CYP2C19 | |
| SCHEMBL8912499 | 0.78 | ADRA1D (0.67) | ADRA1DADRA1AKCNH2ADRA1BOPRM1 | |
| Hydrochloric Acid SCHEMBL8913413 | 0.76 | ADRA1D (0.59) | ADRA1DADRA1AKCNH2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8915484 | 0.75 | ADRA1D (0.59) | ADRA1DADRA1AKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8565294 | 0.74 | ADRA1D (0.71) | ADRA1DADRA1AKCNH2ADRA1BOPRM1 | |
| Hydrochloric Acid SCHEMBL8916200 | 0.74 | ADRA1D (0.59) | ADRA1DADRA1AKCNH2ADRA1BMEN1 | |
| SCHEMBL9444520 | 0.74 | KCNH2 (0.74) | ADRA1DADRA1AKCNH2CYP3A4CYP2D6 | |
| SCHEMBL9451723 | 0.74 | ADRA1D (1.00) | ADRA1DADRA1AKCNH2ADRA1B | |
| Hydrochloric Acid SCHEMBL8565725 | 0.73 | ADRA1D (0.98) | ADRA1DADRA1AKCNH2ADRA1B | |
| Hydrochloric Acid SCHEMBL9444466 | 0.73 | KCNH2 (0.75) | ADRA1DADRA1AKCNH2CYP3A4CYP2D6 |
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 |