Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 11/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5533209 | 0.90 | KIF11 (0.49) | TAAR1SMN1; SMN2KIF11KCNH2CYP3A4 | |
| SCHEMBL1201659 | 0.87 | SLC6A2 (0.47) | SMN1; SMN2KIF11KCNH2MAPK1CYP1A2 | |
| SCHEMBL4734882 | 0.87 | SLC6A2 (0.47) | SMN1; SMN2KIF11KCNH2MAPK1CYP1A2 | |
| SCHEMBL5530178 | 0.86 | KIF11 (0.49) | KIF11KCNH2MAPK1CYP3A4MAPT | |
| SCHEMBL4258447 | 0.80 | TAAR1 (0.39) | TAAR1SMN1; SMN2KIF11KCNH2KMT2A | |
| SCHEMBL5120304 | 0.80 | TAAR1 (0.39) | TAAR1SMN1; SMN2KIF11KCNH2KMT2A | |
| Hydrochloric Acid SCHEMBL4730956 | 0.78 | SMN1; SMN2 (0.39) | TAAR1SMN1; SMN2KIF11MAPK1 | |
| SCHEMBL27838486 | 0.77 | MAPT (0.46) | TAAR1SMN1; SMN2KIF11KCNH2MAPK1 | |
| SCHEMBL15809830 | 0.77 | PPARA (0.39) | SMN1; SMN2 | |
| SCHEMBL5481115 | 0.76 | ALDH1A1 (0.54) | MAPK1 |
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 |