Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | CHAT | P28329 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28369117 | 0.83 | RELA (0.45) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL11101680 | 0.82 | IDO1 (0.61) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL11101682 | 0.82 | IDO1 (0.61) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL2097935 | 0.79 | RELA (0.45) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL2097937 | 0.79 | RELA (0.45) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL14735305 | 0.78 | RELA (0.47) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL5536692 | 0.78 | CYP1A2 (0.47) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL5536691 | 0.78 | CYP1A2 (0.47) | RELACYP1A2CYP2C9FBP1CHAT | |
| SCHEMBL28462959 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2C9FBP1GRIK1GRIK2 | |
| SCHEMBL2772409 | 0.77 | CYP1A2 (0.53) | RELACYP1A2CYP2C9FBP1CHAT |
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-1259243-A2 | BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE | SEPRACOR, INC. (US) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001062257-A2 | BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE | SEPRACOR INC. (US) | 2001-08-30 | — | — | WO | disclosed |