Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2314330 | 1.00 | PARP1 (0.37) | PARP1MAOATRPV1KMT2AMEN1 | |
| SCHEMBL3603083 | 0.88 | RXRA (0.41) | PARP1MAOATRPV1KMT2AMEN1 | |
| SCHEMBL2314576 | 0.88 | RXRA (0.41) | PARP1MAOATRPV1KMT2AMEN1 | |
| SCHEMBL3597753 | 0.85 | KDM4E (0.37) | PARP1MAOATRPV1KMT2AMEN1 | |
| SCHEMBL3597750 | 0.85 | KDM4E (0.37) | PARP1MAOATRPV1KMT2AMEN1 | |
| SCHEMBL2315354 | 0.84 | MAPT (0.35) | TRPV1KMT2AMEN1MAPTRAB9A | |
| SCHEMBL2315349 | 0.84 | MAPT (0.35) | TRPV1KMT2AMEN1MAPTRAB9A | |
| SCHEMBL2316995 | 0.83 | ALDH1A1 (0.39) | MAOATRPV1MAPTALDH1A1KDM4E | |
| SCHEMBL2316992 | 0.83 | ALDH1A1 (0.39) | MAOATRPV1MAPTALDH1A1KDM4E | |
| SCHEMBL2315966 | 0.83 | AR (0.35) | MAOATRPV1KMT2AMAPTRAB9A |
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 |