Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL4200425 | 0.75 | CYP19A1 (0.47) | CYP19A1GPR55CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL1380983 | 0.73 | GPR55 (0.45) | GPR55KMT2AMEN1CYP3A4PTGS2 | |
| SCHEMBL1378413 | 0.73 | CYP3A4 (0.54) | CYP19A1GPR55CYP3A4 | |
| SCHEMBL1378598 | 0.72 | KCNA5 (0.51) | GPR55KMT2AMEN1CYP3A4PTGS2 | |
| SCHEMBL1377655 | 0.70 | GPR55 (0.35) | CYP19A1GPR55KMT2AMEN1L3MBTL1 | |
| SCHEMBL2084239 | 0.70 | CYP19A1 (0.51) | CYP19A1GPR55CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL4198029 | 0.69 | CYP19A1 (0.41) | CYP19A1GPR55KMT2AMEN1CYP3A4 | |
| SCHEMBL13134729 | 0.69 | HSD11B1 (0.47) | KMT2AMEN1L3MBTL1 | |
| SCHEMBL8340399 | 0.69 | HSD11B1 (0.35) | KMT2A | |
| SCHEMBL1380005 | 0.69 | HDAC6 (0.41) | CYP19A1KMT2AMEN1CYP11B1CYP11B2 |
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-1781635-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1781635-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006015159-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |