Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3812287 | 0.84 | CYP19A1 (0.33) | CYP19A1CYP3A4 | |
| SCHEMBL3814663 | 0.84 | BACE1 (0.33) | CYP19A1CYP3A4 | |
| SCHEMBL1379821 | 0.80 | NUDT1 (0.35) | CYP19A1DYRK1ADYRK1BCYP3A4 | |
| SCHEMBL1377553 | 0.79 | DYRK3 (0.34) | CYP19A1DYRK1A | |
| SCHEMBL1381518 | 0.78 | KCNA5 (0.37) | — | |
| SCHEMBL4191481 | 0.77 | CYP19A1 (0.37) | CYP19A1CYP3A4 | |
| SCHEMBL1379534 | 0.76 | PTGER2 (0.36) | — | |
| SCHEMBL1379181 | 0.76 | PTGER2 (0.36) | — | |
| SCHEMBL3814294 | 0.73 | GNE (0.39) | — | |
| SCHEMBL1381052 | 0.73 | GRM5 (0.42) | KDM4E |
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-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 |