Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28480379 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 | |
| SCHEMBL29485692 | 0.79 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL724866 | 0.79 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL4828189 | 0.78 | HTR1A (0.50) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 | |
| SCHEMBL6226352 | 0.74 | CHRNA7 (0.56) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 | |
| SCHEMBL21154743 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 | |
| SCHEMBL10685282 | 0.73 | HTR1A (0.49) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 | |
| SCHEMBL8604241 | 0.73 | HDAC8 (0.56) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL10452373 | 0.73 | CHRNA7 (0.65) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL8700016 | 0.73 | CYP1A2 (0.66) | CYP1A2CYP2D6HTR1ADRD2CHRNA7 |
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-1280793-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001081334-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2001-11-01 | — | — | WO | disclosed |