Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 2/20 | 1.00 |
| ▸ | SCN5A | Q14524 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 1/20 | 1.00 |
| ▸ | ADRA2C | P18825 | 1/20 | 1.00 |
| ▸ | DRD3 | P35462 | 1/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | CACNA1F | O60840 | 1/20 | 1.00 |
| ▸ | SCN1A | P35498 | 1/20 | 1.00 |
| ▸ | SCN4A | P35499 | 1/20 | 1.00 |
| ▸ | SCN7A | Q01118 | 1/20 | 1.00 |
| ▸ | CACNA1D | Q01668 | 1/20 | 1.00 |
| ▸ | CACNA1S | Q13698 | 1/20 | 1.00 |
| ▸ | CACNA1C | Q13936 | 1/20 | 1.00 |
| ▸ | SCN9A | Q15858 | 1/20 | 1.00 |
| ▸ | SCN2A | Q99250 | 1/20 | 1.00 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Ajmaline SCHEMBL29620363 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL30116336 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL30892623 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL29811209 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL14029381 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL2787287 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL23295973 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL29354066 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL15384531 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B | |
| Ajmaline SCHEMBL18950 | 1.00 | CYP2D6 (1.00) | CYP2D6KCNH2SCN5AKMT2AADRA2B |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0029117-B1 | 10-BROMOSANDWICINE AND 10-BROMOISOSANDWICINE, AS WELL AS THEIR ADDITIONS SALTS WITH PHARMACOLICAL ACCEPTABLE ACIDS PROCESS FOR THEIR PREPARATION AND THEIR USE | Kali-Chemie Pharma GmbH (DE) | 1983-04-20 | — | — | EP | claimed |
| JP-61204187-A | — | — | None | — | — | JP | disclosed |
| EP-0182271-B1 | NB-QUATERNARY DIBROMO DERIVATIVES OF AJMALINE, ISOAJMALINE, SANDWICINE AND ISOSANDWICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION | Kali-Chemie Pharma GmbH (DE) | 1990-01-17 | — | — | EP | disclosed |
| EP-0182271-A3 | NB-QUATERNARY DIBROMO DERIVATIVES OF AJMALINE, ISOAJMALINE, SANDWICINE AND ISOSANDWICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION | — | 1987-03-25 | — | — | EP | disclosed |
| JP-S61204187-A | NOVEL NB-QUATERNARY DIBROM DERIVATIVES OF AJMALINE, ISOAJMALINE, SANDWICINE AND ISOSANDWICINE, MANUFACTURE AND ANTIARRYTHMIC | KALI CHEMIE PHARMA GMBH | 1986-09-10 | — | — | JP | disclosed |
| EP-0182271-A2 | Nb-quaternary dibromo derivatives of ajmaline, isoajmaline, sandwicine and isosandwicine, pharmaceutical compositions containing them, intermediates and process for their preparation | Kali-Chemie Pharma GmbH (DE) | 1986-05-28 | — | — | EP | disclosed |
| US-4558052-A | CARDIOVASCULAR DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1985-12-10 | — | — | US | disclosed |
| US-4558052-A | CARDIOVASCULAR DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1985-12-10 | — | — | US | disclosed |
| US-4552877-A | ANTIARRHYTHMIA AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1985-11-12 | — | — | US | disclosed |
| US-4552877-A | ANTIARRHYTHMIA AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1985-11-12 | — | — | US | disclosed |
| EP-0029116-B1 | N(B)-QUATERNARY 10-BROMO-SANDWICINE AND 10-BROMO-ISOSANDWICINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR PREPARING THE DERIVATIVES AND MEDICAMENTS CONTAINING THESE DERIVATIVES | Kali-Chemie Pharma GmbH (DE) | 1984-09-05 | — | — | EP | disclosed |