Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.61 |
| ▸ | HTR2A | P28223 | 8/20 | 0.61 |
| ▸ | DRD2 | P14416 | 6/20 | 0.61 |
| ▸ | HTR2C | P28335 | 6/20 | 0.61 |
| ▸ | HTR2B | P41595 | 6/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | KCNJ1 | P48048 | 6/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
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 SCHEMBL9593183 | 0.99 | SIGMAR1 (0.60) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9592660 | 0.99 | SIGMAR1 (0.60) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| SCHEMBL9807598 | 0.80 | SIGMAR1 (0.58) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9591965 | 0.79 | DRD2 (0.57) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| SCHEMBL9590736 | 0.79 | KCNJ1 (0.56) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| SCHEMBL9592696 | 0.77 | DRD2 (0.43) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| SCHEMBL9807610 | 0.76 | ACHE (0.60) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9590262 | 0.75 | ACHE (0.58) | SIGMAR1HTR2ADRD2HTR2CHTR2B | |
| SCHEMBL5871187 | 0.75 | KCNJ1 (0.56) | SIGMAR1HTR2AKCNJ1KCNH2HRH3 | |
| SCHEMBL9592259 | 0.74 | ACHE (1.00) | SIGMAR1HTR2ADRD2HTR2CHTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5032598-A | Nitrogens containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1991-07-16 | — | — | US | claimed |
| EP-0431945-A2 | Antiarrhythmic agents | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |