Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 16/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.45 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.45 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3943680 | 0.89 | KCNQ2 (0.48) | KCNQ2CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL28876528 | 0.77 | KCNQ2 (0.53) | KCNQ2KCNQ3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4216090 | 0.76 | TGFBR1 (0.40) | NPC1GAA | |
| SCHEMBL666127 | 0.76 | PLAU (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9NPC1 | |
| SCHEMBL3954421 | 0.75 | DPP8 (0.39) | KCNQ2CYP3A4NPC1GAA | |
| SCHEMBL4162406 | 0.75 | TRPM8 (0.37) | GAA | |
| SCHEMBL20355533 | 0.74 | MAPT (0.44) | CYP1A2CYP2C9KCNE1PIM1PIM3 | |
| SCHEMBL3951150 | 0.73 | IDO1 (0.40) | — | |
| SCHEMBL4036425 | 0.72 | PLAU (0.44) | CYP1A2NPC1 | |
| SCHEMBL2700570 | 0.71 | TRPM8 (0.43) | — |
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-2010493-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120729-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |