Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL2316040 | 0.82 | ESR1 (0.42) | PGR | |
| SCHEMBL2316048 | 0.82 | ESR1 (0.42) | PGR | |
| SCHEMBL3604572 | 0.78 | RXRA (0.38) | — | |
| SCHEMBL3601994 | 0.77 | HDAC1 (0.35) | — | |
| SCHEMBL3601992 | 0.77 | HDAC1 (0.35) | — | |
| SCHEMBL5559796 | 0.76 | NOTUM (0.31) | — | |
| SCHEMBL5563963 | 0.73 | KCNH2 (0.32) | — | |
| SCHEMBL2316043 | 0.70 | HDAC1 (0.34) | PGR | |
| SCHEMBL5564928 | 0.70 | CHRM5 (0.33) | HTR1AHTR2BSIGMAR1 | |
| SCHEMBL1399921 | 0.64 | FABP6 (0.38) | PGRNR3C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |