Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.49 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | WRN | Q14191 | 1/20 | 0.39 |
| ▸ | UCHL5 | Q9Y5K5 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27691026 | 0.86 | GABBR2 (0.46) | CYP2C9ADRA2CMAOAADRA1ADRD3 | |
| SCHEMBL5521104 | 0.81 | GABBR2 (0.46) | CYP2C9ADRA2CMAOAADRA1ADRD3 | |
| SCHEMBL5926065 | 0.78 | GABBR2 (0.47) | CYP2C9ADRA2CMAOAADRA1ADRD3 | |
| SCHEMBL23972469 | 0.78 | GABBR2 (0.50) | KCNH2CYP3A4CYP2D6HPGDGABBR2 | |
| SCHEMBL4632227 | 0.78 | CYP2C9 (0.54) | CYP2C9ADRA2CMAOAADRA1ADRD3 | |
| SCHEMBL5212433 | 0.76 | GABBR2 (0.53) | CYP2C9DRD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4392686 | 0.76 | GABBR2 (0.49) | HPGDGABBR2GABBR1DAOF2 | |
| SCHEMBL1679307 | 0.76 | CYP2C9 (0.53) | CYP2C9ADRA2CMAOAADRA1ADRD3 | |
| SCHEMBL11791477 | 0.76 | GABBR2 (0.45) | GABBR2GABBR1DAOF2PPARA | |
| SCHEMBL7759137 | 0.74 | CYP2C9 (0.65) | CYP2C9ADRA2CMAOAADRA1ADRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | disclosed |