Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 6/20 | 0.32 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL2316362 | 0.86 | HTR1A (0.34) | MAPTPGRCYP19A1MEN1CYP1A2 | |
| SCHEMBL2322133 | 0.85 | ALDH1A1 (0.39) | PGRARCYP19A1AKR1B1ALDH1A1 | |
| SCHEMBL2319689 | 0.85 | NOTUM (0.34) | MAPTPGRARCYP19A1AKR1B1 | |
| SCHEMBL2314339 | 0.84 | PARP1 (0.38) | MAPTMEN1CYP1A2CYP3A4KMT2A | |
| SCHEMBL2320678 | 0.83 | MEN1 (0.33) | MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL2319253 | 0.83 | KDM4E (0.43) | MAPTPGRCYP19A1CYP1A2CYP3A4 | |
| SCHEMBL2321527 | 0.81 | IMPDH2 (0.31) | — | |
| SCHEMBL2316316 | 0.81 | AKR1B1 (0.36) | AKR1B1 | |
| SCHEMBL2316423 | 0.80 | BACE1 (0.38) | CYP2C9 | |
| SCHEMBL2319041 | 0.78 | CYP3A4 (0.35) | MAPTNR3C1PGRARMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1609786-B1 | 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | MERCK SANTE SAS (FR) | 2011-08-03 | — | — | EP | claimed |