Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 5/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.37 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1377411 | 0.75 | DGAT2 (0.56) | NAMPT | |
| SCHEMBL1381950 | 0.72 | CYP1A2 (0.42) | VNN1GRM5CYP3A4 | |
| SCHEMBL4198056 | 0.72 | CYP3A4 (0.36) | VNN1NAMPTBRAFGRM5CYP3A4 | |
| SCHEMBL1376729 | 0.70 | KCNA5 (0.46) | VNN1NAMPTBRAFGRM5SGMS2 | |
| SCHEMBL1378017 | 0.69 | GRM5 (0.43) | VNN1BRAFGRM5ATR | |
| SCHEMBL3819011 | 0.65 | HSD11B1 (0.39) | NAMPTGRM5CYP3A4SLC22A12KCNA5 | |
| SCHEMBL4184873 | 0.65 | CYP3A4 (0.44) | VNN1CYP3A4CYP3A5SGMS2KCNA5 | |
| SCHEMBL2007111 | 0.65 | CNR1 (0.62) | VNN1 | |
| SCHEMBL1246685 | 0.62 | SCN9A (0.52) | — | |
| SCHEMBL17237438 | 0.62 | NPC1 (0.67) | VNN1NAMPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4719745-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| EP-1781635-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-02-25 | — | — | EP | claimed |
| EP-1781635-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-05-09 | — | — | EP | claimed |
| WO-2006015159-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | claimed |