Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.63 |
| ▸ | AKT1 | P31749 | 3/20 | 0.40 |
| ▸ | MC4R | P32245 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13365108 | 0.89 | KCNH2 (0.64) | KCNH2AKT1MC4RCYP3A4CYP2D6 | |
| SCHEMBL3350696 | 0.88 | KCNH2 (0.48) | KCNH2MC4RROCK2 | |
| SCHEMBL3346321 | 0.81 | KCNH2 (0.77) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3353009 | 0.80 | KCNH2 (0.67) | KCNH2MC4RROCK2FFAR1 | |
| SCHEMBL3346354 | 0.80 | KCNH2 (0.67) | KCNH2MC4RROCK2FFAR1 | |
| SCHEMBL3350659 | 0.79 | KCNH2 (0.68) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365111 | 0.79 | KCNH2 (0.68) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365134 | 0.78 | KCNH2 (0.64) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3347903 | 0.78 | KCNH2 (0.67) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365130 | 0.78 | KCNH2 (0.63) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | claimed |
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | disclosed |