Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nisoxetine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 11/20 | 0.86 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.86 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.86 |
| ▸ | TSHR | P16473 | 3/20 | 0.86 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.86 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.86 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.86 |
| ▸ | HTR2A | P28223 | 2/20 | 0.86 |
| ▸ | HTR2C | P28335 | 2/20 | 0.86 |
| ▸ | HRH1 | P35367 | 2/20 | 0.86 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.86 |
| ▸ | DRD3 | P35462 | 2/20 | 0.86 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.86 |
| ▸ | HTR2B | P41595 | 2/20 | 0.86 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.86 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.86 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Nisoxetine SCHEMBL124289 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL2209541 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Nisoxetine SCHEMBL30026153 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL29440242 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL12047445 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Nisoxetine SCHEMBL3897550 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL5783906 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL341802 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Nisoxetine SCHEMBL29401038 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 | |
| Atomoxetine SCHEMBL34268 | 0.93 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2060559-A1 | Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers | Cadila Pharmaceuticals Limited (IN) | 2009-05-20 | — | — | EP | disclosed |