Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MLNR | O43193 | 1/20 | 0.56 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | MC4R | P32245 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21118802 | 0.86 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| SCHEMBL21118566 | 0.85 | SLC6A2 (0.56) | SLC6A3SLC6A4SLC6A2GAACYP1A2 | |
| SCHEMBL21118579 | 0.82 | SLC6A4 (0.61) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| SCHEMBL21118538 | 0.82 | SMN1; SMN2 (0.60) | SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL21632830 | 0.79 | SLC6A3 (0.47) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| SCHEMBL21118548 | 0.78 | SLC6A3 (0.59) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| SCHEMBL21118698 | 0.77 | SLC6A3 (0.55) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| Duloxetine SCHEMBL3335 | 0.76 | SLC6A2 (0.87) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| Duloxetine SCHEMBL3896385 | 0.76 | SLC6A2 (0.87) | SLC6A3SLC6A4SLC6A2GAAMLNR | |
| Duloxetine SCHEMBL308488 | 0.76 | SLC6A2 (0.87) | SLC6A3SLC6A4SLC6A2GAAMLNR |
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 |