Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | USP8 | P40818 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271209 | 0.79 | — | — | |
| SCHEMBL5266987 | 0.75 | NOTUM (0.36) | — | |
| SCHEMBL5273430 | 0.74 | PGR (0.37) | USP8USP7MAOB | |
| SCHEMBL5271201 | 0.74 | PGR (0.37) | ALDH1A1KDM4EMAPTUSP8USP7 | |
| SCHEMBL5269692 | 0.74 | NR3C1 (0.37) | MAPTLMNAHTT | |
| SCHEMBL1399899 | 0.74 | LMNA (0.41) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL5270297 | 0.73 | OPRD1 (0.35) | ALDH1A1LMNAKMT2A | |
| SCHEMBL2315821 | 0.69 | KDM4E (0.39) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL2319041 | 0.69 | CYP3A4 (0.35) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL2315817 | 0.69 | KDM4E (0.39) | ALDH1A1KDM4EMAPTHPGDMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1600446-B1 | New 3,3-dimethyl-5-cyano-benzoxepine derivatives useful for the preparation of 5-formyl-benzoxepine derivatives | MERCK SANTE SAS (FR) | 2007-10-17 | — | — | EP | claimed |
| EP-1600446-A1 | New 3,3-dimethyl-5-cyano-benzoxepine derivatives useful for the preparation of 5-formyl-benzoxepine derivatives | Merck Sante (FR) | 2005-11-30 | — | — | EP | claimed |
| WO-2005111012-A1 | NEW 3,3-DIMETHYL-5-CYANO-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF 5-FORMYL-BENZOXEPINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-11-24 | — | — | WO | claimed |
| EP-1600446-B1 | New 3,3-dimethyl-5-cyano-benzoxepine derivatives useful for the preparation of 5-formyl-benzoxepine derivatives | MERCK SANTE SAS (FR) | 2007-10-17 | — | — | EP | disclosed |
| EP-1600446-A1 | New 3,3-dimethyl-5-cyano-benzoxepine derivatives useful for the preparation of 5-formyl-benzoxepine derivatives | Merck Sante (FR) | 2005-11-30 | — | — | EP | disclosed |
| WO-2005111012-A1 | NEW 3,3-DIMETHYL-5-CYANO-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF 5-FORMYL-BENZOXEPINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-11-24 | — | — | WO | disclosed |