Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | FABP6 | P51161 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 2/20 | 0.31 |
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) | ALDH1A1KDM4EL3MBTL1PGRCTNNB1 | |
| SCHEMBL2319689 | 0.85 | NOTUM (0.34) | NOTUMAKR1B1PGRARCYP19A1 | |
| SCHEMBL2314396 | 0.85 | MAPT (0.34) | ALDH1A1KDM4EL3MBTL1AKR1B1PGR | |
| SCHEMBL2314339 | 0.84 | PARP1 (0.38) | ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL2316043 | 0.84 | HDAC1 (0.34) | PGR | |
| SCHEMBL2319253 | 0.83 | KDM4E (0.43) | ALDH1A1KDM4EGAAPGRCTNNB1 | |
| SCHEMBL2320678 | 0.83 | MEN1 (0.33) | HPGD | |
| SCHEMBL2316423 | 0.82 | BACE1 (0.38) | HPGD | |
| SCHEMBL2321527 | 0.81 | IMPDH2 (0.31) | — | |
| SCHEMBL2316316 | 0.81 | AKR1B1 (0.36) | AKR1B1 |
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 |