Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | REN | P00797 | 12/20 | 0.45 |
| ▸ | PDE4A | P27815 | 4/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4712198 | 0.87 | KCNH2 (0.57) | KCNH2SCN3APDE4APDE4BPDE4C | |
| SCHEMBL3390493 | 0.86 | KCNH2 (0.48) | KCNH2SCN3ARENPDE4APDE4B | |
| Hydrochloric Acid SCHEMBL11234717 | 0.85 | KCNH2 (0.56) | KCNH2SCN3APDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL11234719 | 0.85 | KCNH2 (0.56) | KCNH2SCN3APDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL11234724 | 0.85 | KCNH2 (0.56) | KCNH2SCN3APDE4APDE4BPDE4C | |
| SCHEMBL5794133 | 0.79 | KCNH2 (0.50) | KCNH2SCN3APDE4APDE4BPDE4C | |
| SCHEMBL5794125 | 0.79 | KCNH2 (0.50) | KCNH2SCN3APDE4APDE4BPDE4C | |
| SCHEMBL4709071 | 0.79 | KCNH2 (0.50) | KCNH2SCN3APDE4APDE4BPDE4C | |
| SCHEMBL4955261 | 0.78 | REN (0.40) | KCNH2RENPDE4APDE4BPDE4C | |
| SCHEMBL3389298 | 0.78 | REN (0.40) | KCNH2RENPDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1931629-B1 | SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION | NOVARTIS AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| EP-1931629-A1 | SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION | Novartis AG (CH) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039183-A1 | SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION | NOVARTIS AG (CH) | 2007-04-12 | — | — | WO | disclosed |