Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13419345 | 0.82 | HRH3 (0.31) | HRH3 | |
| SCHEMBL7184756 | 0.77 | HRH3 (0.35) | ADRB1ADRB3HRH3CYP2C19 | |
| SCHEMBL20645999 | 0.76 | CES2 (0.44) | CES2CES1ADRB2 | |
| SCHEMBL908748 | 0.74 | CYP2C19 (0.59) | CES2CES1CYP2C19 | |
| SCHEMBL7104502 | 0.73 | AOC3 (0.47) | HRH3CYP2C19 | |
| SCHEMBL21353855 | 0.73 | AOC3 (0.47) | HRH3CYP2C19 | |
| SCHEMBL15211541 | 0.73 | PNMT (0.41) | CES2HRH3 | |
| SCHEMBL7185128 | 0.73 | TRPV4 (0.41) | ADRB2ADRB1ADRB3 | |
| SCHEMBL968890 | 0.73 | ADRB1 (0.37) | ADRB1ADRB3HRH3CYP2C19 | |
| SCHEMBL2458054 | 0.72 | ADRB2 (0.50) | CES2CES1ADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7314943-B2 | Pyran derivatives containing an exocyclic double bond | MERCK PATENT GMBH (DE) | 2008-01-01 | — | — | US | disclosed |
| US-7314943-B2 | Pyran derivatives containing an exocyclic double bond | MERCK PATENT GMBH (DE) | 2008-01-01 | — | — | US | disclosed |