Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 18/20 | 0.58 |
| ▸ | HCAR3 | P49019 | 12/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8125015 | 0.78 | HCAR2 (0.62) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9867025 | 0.78 | HCAR2 (0.47) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9867879 | 0.78 | HCAR2 (0.47) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9867033 | 0.78 | HCAR2 (0.47) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9867885 | 0.78 | HCAR2 (0.47) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL28180582 | 0.77 | HCAR2 (0.53) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL6756864 | 0.76 | HCAR2 (0.46) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL6756867 | 0.76 | HCAR2 (0.46) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9867753 | 0.75 | HCAR2 (0.52) | HCAR2HCAR3CYP1A2MAOB | |
| SCHEMBL9866112 | 0.75 | HCAR2 (0.47) | HCAR2HCAR3CYP1A2MAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010009215-A1 | NICOTINIC ACID RECEPTOR AGONIST COMPOUNDS USEFUL TO TREAT METABOLIC SYNDROMES | SCHERING CORPORATION (US) | 2010-01-21 | — | — | WO | disclosed |