Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2315836 | 1.00 | ESR1 (0.38) | ESR1ESR2HTR2BSIGMAR1HTR7 | |
| SCHEMBL2317267 | 0.91 | RAB9A (0.38) | HTR2BSIGMAR1HTR7TMEM97ALDH1A1 | |
| SCHEMBL2317270 | 0.91 | RAB9A (0.38) | HTR2BSIGMAR1HTR7TMEM97ALDH1A1 | |
| SCHEMBL3609449 | 0.88 | RXRA (0.39) | ESR1ESR2HTR2BSIGMAR1HTR7 | |
| SCHEMBL3609445 | 0.88 | RXRA (0.39) | ESR1ESR2HTR2BSIGMAR1HTR7 | |
| SCHEMBL2314373 | 0.86 | HTR1A (0.37) | ESR1ESR2HTR2BSIGMAR1CYP3A4 | |
| SCHEMBL2314377 | 0.86 | HTR1A (0.37) | ESR1ESR2HTR2BSIGMAR1CYP3A4 | |
| SCHEMBL3646383 | 0.84 | MAPT (0.36) | ESR1ESR2HTR2BSIGMAR1CYP3A4 | |
| SCHEMBL3646386 | 0.84 | MAPT (0.36) | ESR1ESR2HTR2BSIGMAR1CYP3A4 | |
| SCHEMBL2317450 | 0.83 | MAPK1 (0.33) | ESR1ESR2MAPTKDM4EHSD17B10 |
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 8 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-1758876-A1 | NEW 5-ALKENONE-3,3-DIMETHYL-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF ANTIDIABETIC PENTADIENOIC ACIDS | MERCK PATENT GmbH (DE) | 2007-03-07 | — | — | EP | claimed |
| WO-2006002721-A1 | NEW 5-ALKENONE-3,3-DIMETHYL-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF ANTIDIABETIC PENTADIENOIC ACIDS | MERCK PATENT GMBH (DE) | 2006-01-12 | — | — | WO | 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-1758876-A1 | NEW 5-ALKENONE-3,3-DIMETHYL-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF ANTIDIABETIC PENTADIENOIC ACIDS | MERCK PATENT GmbH (DE) | 2007-03-07 | — | — | EP | disclosed |
| WO-2006002721-A1 | NEW 5-ALKENONE-3,3-DIMETHYL-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF ANTIDIABETIC PENTADIENOIC ACIDS | MERCK PATENT GMBH (DE) | 2006-01-12 | — | — | WO | 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 |