Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21632814 | 0.92 | PRCP (0.49) | DRD4DRD2DRD3L3MBTL1 | |
| SCHEMBL21633034 | 0.89 | DRD4 (0.49) | DRD4DRD2DRD3CYP2D6CYP2C19 | |
| SCHEMBL21633032 | 0.88 | DRD4 (0.49) | DRD4DRD2DRD3CYP2D6CYP2C19 | |
| SCHEMBL21633140 | 0.86 | DRD2 (0.47) | DRD4DRD2DRD3CYP2D6CYP2C19 | |
| SCHEMBL21658581 | 0.83 | DRD2 (0.51) | DRD4DRD2DRD3CYP2D6CYP2C19 | |
| SCHEMBL21632830 | 0.81 | SLC6A3 (0.47) | DRD4DRD2DRD3CYP2D6CYP2C19 | |
| SCHEMBL21061343 | 0.76 | SLC6A2 (0.43) | DRD3CYP2D6CYP2C19KDM4EKMT2A | |
| SCHEMBL21632833 | 0.73 | ACHE (0.51) | DRD4DRD3CYP2D6CYP2C19KMT2A | |
| SCHEMBL21633001 | 0.72 | SLC6A2 (0.49) | DRD3CYP2D6CYP2C19KDM4EKMT2A | |
| SCHEMBL21118566 | 0.72 | SLC6A2 (0.56) | DRD3CYP2D6CYP2C19KMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | claimed |
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |