Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21632998 | 0.89 | ADRA1D (0.65) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21633130 | 0.86 | SLC6A4 (0.56) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21633003 | 0.86 | SLC6A2 (0.59) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21632837 | 0.86 | CACNA2D1 (0.60) | DRD3DRD2SLC6A2SLC6A4CYP1A2 | |
| SCHEMBL21391204 | 0.84 | SLC6A4 (0.45) | DRD3DRD2DRD4SLC6A2SLC6A4 | |
| SCHEMBL21658558 | 0.83 | SLC6A2 (0.57) | DRD3DRD2SLC6A2SLC6A4CYP1A2 | |
| SCHEMBL21633324 | 0.82 | CACNA2D1 (0.67) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21633151 | 0.81 | KMT2A (0.59) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21633014 | 0.80 | SLC6A2 (0.54) | DRD3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL21632939 | 0.79 | SLC6A4 (0.53) | DRD3DRD2SLC6A2SLC6A4CYP1A2 |
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 |