Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 11/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271201 | 0.83 | PGR (0.37) | PGRARCYP19A1MAPT | |
| SCHEMBL5268625 | 0.81 | HTR2B (0.40) | PGRCYP19A1BCHELMNAMAPT | |
| SCHEMBL5266662 | 0.80 | HTR2B (0.41) | PGRARMAPT | |
| SCHEMBL7033220 | 0.79 | PGR (0.45) | NR3C1PGRARAPPCYP19A1 | |
| SCHEMBL5270297 | 0.79 | OPRD1 (0.35) | PGRCYP19A1LMNA | |
| SCHEMBL5269873 | 0.74 | ALDH1A1 (0.37) | LMNAMAPTHTT | |
| SCHEMBL1400214 | 0.74 | APP (0.38) | NR3C1PGRARAPPCYP19A1 | |
| SCHEMBL5266987 | 0.72 | NOTUM (0.36) | — | |
| SCHEMBL8315689 | 0.71 | AHR (0.30) | — | |
| SCHEMBL8315585 | 0.69 | ADRA1A (0.40) | NR3C1PGRARAPPCYP19A1 |
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 |