Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | 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 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2317446 | 1.00 | NOTUM (0.37) | NOTUMAKR1B1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3600626 | 0.88 | RXRA (0.37) | NOTUMAKR1B1 | |
| SCHEMBL3600621 | 0.88 | RXRA (0.37) | NOTUMAKR1B1 | |
| SCHEMBL2316320 | 0.86 | AKR1B1 (0.34) | AKR1B1ESR1ESR2 | |
| SCHEMBL2316311 | 0.86 | AKR1B1 (0.34) | AKR1B1ESR1ESR2 | |
| SCHEMBL1400074 | 0.83 | NOTUM (0.36) | NOTUMAKR1B1 | |
| SCHEMBL2317332 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL2317337 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL2315971 | 0.81 | AR (0.35) | NOTUM | |
| SCHEMBL2316995 | 0.81 | ALDH1A1 (0.39) | NOTUMAKR1B1CYP3A4CYP2D6CYP2C9 |
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 4 patents. 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 |
| EP-1609786-A1 | New 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | Merck Sante (FR) | 2005-12-28 | — | — | EP | claimed |
| 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 | disclosed |
| EP-1609786-A1 | New 5-alkenone-3,3-dimethyl-benzoxepines derivatives useful for the preparation of antidiabetic pentadienoic acids | Merck Sante (FR) | 2005-12-28 | — | — | EP | disclosed |