Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.47 |
| ▸ | CCR2 | P41597 | 4/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.47 |
| ▸ | F10 | P00742 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | HPN | P05981 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14048044 | 0.91 | F10 (0.49) | F10CHRM2CHRM3KDM4EALDH1A1 | |
| SCHEMBL10997185 | 0.86 | ROCK2 (0.47) | ROCK2CCR2ROCK1F10DRD2 | |
| SCHEMBL14048171 | 0.83 | ACHE (0.49) | F10CHRM2CHRM3KDM4EALDH1A1 | |
| SCHEMBL3722397 | 0.82 | ALDH1A1 (0.55) | ROCK2CCR2ROCK1DRD2DRD4 | |
| SCHEMBL8545766 | 0.82 | CYP2D6 (0.68) | CYP2D6ALDH1A1CCR3 | |
| SCHEMBL1386235 | 0.82 | CYP2D6 (0.68) | CYP2D6ALDH1A1CCR3 | |
| SCHEMBL5968994 | 0.82 | CYP2D6 (0.68) | CYP2D6ALDH1A1CCR3 | |
| SCHEMBL22030142 | 0.81 | GBA1 (0.42) | CYP2D6ROCK2CCR2ROCK1F10 | |
| SCHEMBL18663717 | 0.81 | GBA1 (0.42) | CYP2D6ROCK2CCR2ROCK1F10 | |
| SCHEMBL10998601 | 0.79 | ACHE (0.53) | ROCK2CCR2ROCK1DRD2DRD4 |
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-2010488-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007117559-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |