Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6207329 | 0.80 | KCNH2 (0.49) | KCNH2CYP2D6CYP3A4MEN1KMT2A | |
| SCHEMBL4490875 | 0.76 | ROCK2 (0.55) | CYP2D6ROCK2ROCK1CCR2MEN1 | |
| SCHEMBL6205691 | 0.74 | KCNH2 (0.51) | KCNH2CYP3A4PRMT5WDR77 | |
| SCHEMBL5226887 | 0.73 | KCNH2 (0.50) | KCNH2CYP3A4PRMT5WDR77 | |
| SCHEMBL7705235 | 0.73 | CYP2D6 (0.54) | CYP2D6MEN1KMT2AABCB1 | |
| SCHEMBL6256736 | 0.68 | CYP2D6 (0.55) | CYP2D6MEN1KMT2A | |
| SCHEMBL6188797 | 0.68 | CYP2D6 (0.55) | KCNH2CYP2D6MEN1KMT2ARAB9A | |
| SCHEMBL4500756 | 0.67 | ROCK2 (0.58) | ROCK2ROCK1CCR2MEN1KMT2A | |
| SCHEMBL5222045 | 0.67 | CYP2D6 (0.54) | CYP2D6MEN1KMT2A | |
| SCHEMBL5226751 | 0.67 | CYP2D6 (0.54) | KCNH2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |