Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL4105884 | 0.86 | L3MBTL1 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL3974425 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL10306089 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL4509900 | 0.83 | ALDH1A1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL22856259 | 0.83 | ALDH1A1 (0.43) | CYP3A4CYP2D6ALDH1A1KDM4EGAA | |
| SCHEMBL17517700 | 0.83 | L3MBTL1 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL20397038 | 0.83 | ALDH1A1 (0.43) | CYP3A4CYP2D6ALDH1A1KDM4EGAA | |
| SCHEMBL18668624 | 0.83 | ALDH1A1 (0.43) | CYP3A4CYP2D6ALDH1A1KDM4EGAA | |
| SCHEMBL3977998 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL10306099 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006066896-A2 | PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN | NOVARTIS AG (CH) | 2006-06-29 | — | — | WO | disclosed |