Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912474 | 0.81 | ADRA1D (0.41) | — | |
| Hydrochloric Acid SCHEMBL8912790 | 0.81 | HTR6 (0.37) | NR3C1PGRNR3C2ARTDP2 | |
| Hydrochloric Acid SCHEMBL8913394 | 0.73 | KCNH2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL8570970 | 0.69 | KDM4E (0.43) | — | |
| Hydrochloric Acid SCHEMBL8922961 | 0.68 | KCNH2 (0.43) | — | |
| SCHEMBL24388772 | 0.67 | BRD4 (0.43) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL24388853 | 0.66 | BRPF1 (0.43) | CYP2C9 | |
| SCHEMBL24389272 | 0.65 | ALDH1A1 (0.41) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8913770 | 0.64 | ADRA1D (0.41) | — | |
| Hydrochloric Acid SCHEMBL8914251 | 0.64 | HTR6 (0.38) | NR3C1PGRNR3C2ARCA12 |
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 |