Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.55 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | HTR2C | P28335 | 3/20 | 0.55 |
| ▸ | HRH1 | P35367 | 3/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL21118582 | 0.89 | SLC6A4 (0.61) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118568 | 0.83 | SLC6A4 (0.63) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118538 | 0.82 | SMN1; SMN2 (0.60) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118537 | 0.80 | SLC6A2 (0.50) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118579 | 0.80 | SLC6A4 (0.61) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118569 | 0.77 | SLC6A4 (0.58) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118570 | 0.77 | SLC6A4 (0.61) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11239466 | 0.75 | SLC6A4 (0.63) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21118535 | 0.75 | SLC6A2 (0.50) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| Atomoxetine SCHEMBL341802 | 0.72 | SLC6A4 (1.00) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019110137-A1 | O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-13 | — | — | WO | disclosed |