Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 9/20 | 0.48 |
| ▸ | DRD2 | P14416 | 8/20 | 0.48 |
| ▸ | DRD3 | P35462 | 8/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | GHSR | Q92847 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPN | P05981 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9050818 | 0.83 | KMT2A (0.44) | DRD4DRD2DRD3SIGMAR1CYP3A4 | |
| SCHEMBL9050202 | 0.81 | SIGMAR1 (0.55) | DRD4DRD2DRD3SIGMAR1LMNA | |
| SCHEMBL9050212 | 0.77 | DRD4 (0.50) | DRD4DRD2DRD3SIGMAR1CYP3A4 | |
| SCHEMBL8861852 | 0.77 | SLC6A4 (0.50) | CYP1A2CYP2D6CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL8861853 | 0.76 | SIGMAR1 (0.55) | DRD4DRD2DRD3SIGMAR1LMNA | |
| SCHEMBL8861888 | 0.74 | KMT2A (0.47) | DRD4DRD2DRD3SIGMAR1LMNA | |
| SCHEMBL8861906 | 0.73 | SIGMAR1 (0.51) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8964106 | 0.73 | TSHR (0.47) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL8861909 | 0.72 | KMT2A (0.47) | DRD4DRD2DRD3SIGMAR1LMNA | |
| SCHEMBL8861925 | 0.70 | SIGMAR1 (0.60) | DRD4DRD2DRD3SIGMAR1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730582-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014672-A1 | ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-06-01 | — | — | WO | disclosed |