Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | VNN1 | O95497 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL1378017 | 0.88 | GRM5 (0.43) | CYP1A2GRM5VNN1 | |
| SCHEMBL3818100 | 0.86 | CLK4 (0.36) | CYP1A2CYP3A4CLK4GRM5ALDH1A1 | |
| SCHEMBL3815565 | 0.83 | PTGER2 (0.41) | CYP1A2CYP3A4CLK4GRM5ALDH1A1 | |
| SCHEMBL3819011 | 0.81 | HSD11B1 (0.39) | CYP1A2CYP3A4CLK4GRM5ALDH1A1 | |
| SCHEMBL1378033 | 0.76 | KCNA5 (0.43) | CYP3A4PTGER2 | |
| SCHEMBL1379275 | 0.75 | PTGER2 (0.38) | PTGER2 | |
| SCHEMBL3816028 | 0.74 | PTGER2 (0.39) | PTGER2 | |
| SCHEMBL1382204 | 0.74 | SMN1; SMN2 (0.42) | CYP3A4GRM5ALDH1A1MAPK1 | |
| SCHEMBL1381946 | 0.74 | KCNA5 (0.43) | CYP1A2CYP3A4CLK4USP2CYP2D6 | |
| SCHEMBL1376732 | 0.72 | VNN1 (0.39) | CYP3A4GRM5VNN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4719744-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | claimed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | claimed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | claimed |
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |