Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 6/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21632829 | 0.89 | DRD4 (0.51) | DRD4DRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL21633032 | 0.85 | DRD4 (0.49) | DRD4DRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL21632814 | 0.83 | PRCP (0.49) | DRD4DRD2DRD3L3MBTL1PRCP | |
| SCHEMBL21061257 | 0.78 | ALDH1A1 (0.41) | KDM4EALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL21633140 | 0.77 | DRD2 (0.47) | DRD4DRD2DRD3KMT2ACYP2D6 | |
| SCHEMBL21061282 | 0.75 | SLC6A2 (0.42) | DRD3ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL21051933 | 0.73 | GAA (0.40) | DRD3ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL21632846 | 0.73 | MEN1 (0.52) | KMT2AMEN1 | |
| SCHEMBL21658581 | 0.72 | DRD2 (0.51) | DRD4DRD2DRD3KMT2ACYP2D6 | |
| SCHEMBL21632816 | 0.72 | ACHE (0.56) | DRD4DRD2 |
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-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |