Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | PDE8B | O95263 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24907112 | 1.00 | SIGMAR1 (0.47) | SIGMAR1NOS1NOS2TLR7PDE8B | |
| SCHEMBL8005026 | 1.00 | SIGMAR1 (0.47) | SIGMAR1NOS1NOS2TLR7PDE8B | |
| SCHEMBL20321802 | 0.87 | — | — | |
| SCHEMBL9309444 | 0.87 | — | — | |
| SCHEMBL5673317 | 0.87 | — | — | |
| SCHEMBL2198842 | 0.79 | MEN1 (0.33) | TLR7CYP1A2 | |
| SCHEMBL14864952 | 0.79 | CYP1A2 (0.56) | NOS1NOS2TLR7CYP1A2 | |
| SCHEMBL2198453 | 0.79 | NAMPT (0.32) | TLR7CYP1A2 | |
| SCHEMBL17308764 | 0.79 | CYP1A2 (0.56) | NOS1NOS2TLR7CYP1A2 | |
| SCHEMBL2225892 | 0.79 | TLR7 (0.32) | TLR7PDE8BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2074108-B1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2008036247-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |