Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | RARG | P13631 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2315966 | 1.00 | AR (0.35) | ARIDO1TDO2TGM2NOTUM | |
| SCHEMBL2317450 | 0.90 | MAPK1 (0.33) | ARIDO1TDO2TGM2MAOB | |
| SCHEMBL2317453 | 0.90 | MAPK1 (0.33) | ARIDO1TDO2TGM2MAOB | |
| SCHEMBL3607982 | 0.88 | RXRA (0.45) | ARNOTUMMAPTHTTRARA | |
| SCHEMBL3607980 | 0.88 | RXRA (0.45) | ARNOTUMMAPTHTTRARA | |
| SCHEMBL2315354 | 0.86 | MAPT (0.35) | MAOBNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2315349 | 0.86 | MAPT (0.35) | MAOBNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2314394 | 0.85 | APP (0.34) | ARMAOBMAPTSMN1; SMN2PGR | |
| SCHEMBL2316995 | 0.85 | ALDH1A1 (0.39) | ARTGM2NOTUMMAOBMAPT | |
| SCHEMBL2316992 | 0.85 | ALDH1A1 (0.39) | ARTGM2NOTUMMAOBMAPT |
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 |