Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.59 |
| ▸ | MC4R | P32245 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3353241 | 0.90 | KCNH2 (0.59) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3346440 | 0.90 | KCNH2 (0.59) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3346321 | 0.84 | KCNH2 (0.77) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3350446 | 0.82 | KCNH2 (0.79) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365061 | 0.82 | KCNH2 (0.79) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3353012 | 0.81 | KCNH2 (0.59) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3346236 | 0.81 | MC4R (0.65) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365134 | 0.79 | KCNH2 (0.64) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13365062 | 0.78 | KCNH2 (0.57) | KCNH2MC4RCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3346870 | 0.78 | KCNH2 (0.62) | 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 1 patent. 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 |