Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 16/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5527328 | 0.90 | TAAR1 (0.44) | KIF11SMN1; SMN2KCNH2TAAR1CYP3A4 | |
| SCHEMBL4734882 | 0.84 | SLC6A2 (0.47) | KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1201659 | 0.84 | SLC6A2 (0.47) | KIF11SMN1; SMN2KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5530178 | 0.83 | KIF11 (0.49) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1582473 | 0.79 | CYP2C19 (0.50) | KIF11SMN1; SMN2CYP2C19 | |
| SCHEMBL4258447 | 0.77 | TAAR1 (0.39) | KIF11SMN1; SMN2KCNH2TAAR1DRD2 | |
| SCHEMBL5120304 | 0.77 | TAAR1 (0.39) | KIF11SMN1; SMN2KCNH2TAAR1DRD2 | |
| Hydrochloric Acid SCHEMBL4730956 | 0.76 | SMN1; SMN2 (0.39) | KIF11SMN1; SMN2TAAR1DRD2DRD4 | |
| SCHEMBL23474514 | 0.75 | KIF11 (0.41) | KIF11SMN1; SMN2KCNH2DRD2DRD4 | |
| SCHEMBL23474377 | 0.75 | KIF11 (0.41) | KIF11SMN1; SMN2KCNH2DRD2DRD4 |
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-1761478-A2 | AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS | Teva Pharmaceutical Fine Chemicals S.R.L. (IT) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006004979-A2 | AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS | TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) | 2006-01-12 | — | — | WO | disclosed |