Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009072 | 0.81 | DRD4 (0.73) | DRD4DRD3HTR1AHTR2ADRD2 | |
| SCHEMBL8010052 | 0.80 | DRD4 (0.64) | DRD4DRD3HTR1AHTR2ADRD2 | |
| SCHEMBL8011865 | 0.79 | DRD4 (0.53) | DRD4MAPTNPSR1DRD3HTR1A | |
| Oxalic Acid SCHEMBL8011723 | 0.77 | DRD4 (0.67) | DRD4DRD3MEN1KMT2AHTR1A | |
| SCHEMBL8011728 | 0.76 | DRD4 (0.59) | DRD4MAPTNPSR1DRD3HTR1A | |
| SCHEMBL8009156 | 0.75 | DRD4 (0.67) | DRD4 | |
| SCHEMBL8000470 | 0.70 | DRD4 (0.66) | DRD4MAPTALDH1A1HTR1AHTR2A | |
| SCHEMBL9778374 | 0.70 | ABCB1 (0.60) | DRD4MAPTNPSR1DRD3ALDH1A1 | |
| SCHEMBL8015532 | 0.69 | DRD4 (0.64) | DRD4 | |
| SCHEMBL8012111 | 0.67 | DRD4 (1.00) | DRD4DRD3HTR2ADRD2ABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6080745-A | Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 2000-06-27 | — | — | US | disclosed |
| WO-1995007893-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-03-23 | — | — | WO | disclosed |