Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 4/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 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 | |
|---|---|---|---|---|
| SCHEMBL5563963 | 0.83 | KCNH2 (0.32) | BACE1 | |
| SCHEMBL2314163 | 0.83 | TGM2 (0.39) | CHRM5BACE1CES1 | |
| SCHEMBL2314166 | 0.83 | TGM2 (0.39) | CHRM5BACE1CES1 | |
| SCHEMBL3606435 | 0.79 | KDM4E (0.34) | CHRM5BACE1 | |
| SCHEMBL3606430 | 0.79 | KDM4E (0.34) | CHRM5BACE1 | |
| SCHEMBL3602737 | 0.79 | RXRA (0.39) | — | |
| SCHEMBL3602741 | 0.79 | RXRA (0.39) | — | |
| SCHEMBL5559796 | 0.72 | NOTUM (0.31) | — | |
| SCHEMBL2316423 | 0.72 | BACE1 (0.38) | CHRM5BACE1 | |
| SCHEMBL5565147 | 0.70 | HTR1A (0.35) | HTR1AHTR2BSIGMAR1 |
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 4 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 | 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-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 |