Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16047199 | 0.77 | KCNN4 (0.39) | CYP2D6CHRM3CHRM2CHRM1KCNH2 | |
| SCHEMBL28137313 | 0.72 | CYP2C19 (0.47) | CYP2D6CYP1A2CHRM3CHRM2CHRM1 | |
| SCHEMBL7073060 | 0.72 | CYP1A2 (0.43) | CYP2D6CYP1A2CHRM3GRIN1GRIN2A | |
| SCHEMBL27630319 | 0.72 | CYP2D6 (0.43) | CYP2D6CYP1A2CHRM3GRIN1GRIN2A | |
| SCHEMBL8816057 | 0.70 | GRIN1 (0.47) | CYP2D6CYP1A2CHRM3GRIN1GRIN2A | |
| SCHEMBL4399833 | 0.69 | TAAR1 (0.50) | CYP2D6CYP1A2GRIN1GRIN2AGRIN2D | |
| SCHEMBL4399836 | 0.69 | TAAR1 (0.50) | CYP2D6CYP1A2GRIN1GRIN2AGRIN2D | |
| SCHEMBL10952717 | 0.69 | CYP2C19 (0.44) | CYP2D6CYP1A2GRIN1GRIN2AGRIN2D | |
| SCHEMBL113841 | 0.69 | TAAR1 (0.50) | CYP2D6CYP1A2GRIN1GRIN2AGRIN2D | |
| Ammonia Solution, Strong SCHEMBL27739613 | 0.67 | TAAR1 (0.48) | CYP2D6CYP1A2GRIN1GRIN2AGRIN2D |
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-1735592-A | Hydroxyethylamine derivatives for the treatment of alzheimer's disease | GLAXO GROUP LTD (GB) | 2006-02-15 | — | — | CN | disclosed |