Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | REN | P00797 | 19/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4100940 | 1.00 | KCNH2 (0.47) | KCNH2RENCYP3A4 | |
| SCHEMBL3050463 | 1.00 | KCNH2 (0.47) | KCNH2RENCYP3A4 | |
| SCHEMBL3988287 | 0.91 | REN (0.46) | KCNH2RENCYP3A4 | |
| SCHEMBL3264631 | 0.89 | KCNH2 (0.47) | KCNH2RENCYP3A4 | |
| SCHEMBL3264633 | 0.89 | KCNH2 (0.47) | KCNH2RENCYP3A4 | |
| SCHEMBL556513 | 0.89 | KCNH2 (0.47) | KCNH2RENCYP3A4 | |
| SCHEMBL4757686 | 0.81 | PPARG (0.43) | CYP3A4 | |
| SCHEMBL5306817 | 0.80 | RORC (0.49) | KCNH2RENCYP3A4 | |
| SCHEMBL1750732 | 0.80 | PDE4B (0.51) | KCNH2RENCYP3A4 | |
| SCHEMBL1751490 | 0.80 | PDE4B (0.51) | KCNH2RENCYP3A4 |
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-2097377-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008058387-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2008-05-22 | — | — | WO | disclosed |
| EP-1893578-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006129237-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-07 | — | — | WO | disclosed |