Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.64 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP4 | P49662 | 1/20 | 0.42 |
| ▸ | CASP5 | P51878 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8009072 | 0.93 | DRD4 (0.73) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| Oxalic Acid SCHEMBL8011723 | 0.88 | DRD4 (0.67) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL8011728 | 0.87 | DRD4 (0.59) | DRD4DRD2HTR1ADRD3SLC6A3 | |
| SCHEMBL8009156 | 0.87 | DRD4 (0.67) | DRD4SIGMAR1 | |
| SCHEMBL8000470 | 0.81 | DRD4 (0.66) | DRD4DRD2HTR1ASIGMAR1HTR2A | |
| SCHEMBL8000123 | 0.80 | DRD4 (0.51) | DRD4DRD2HTR1ADRD3HTR2A | |
| SCHEMBL8011865 | 0.79 | DRD4 (0.53) | DRD4DRD2HTR1ADRD3CASP1 | |
| SCHEMBL8012111 | 0.78 | DRD4 (1.00) | DRD4DRD2DRD3HTR2AABCC1 | |
| SCHEMBL8015532 | 0.76 | DRD4 (0.64) | DRD4 | |
| SCHEMBL8000065 | 0.75 | KDR (0.60) | DRD4DRD2HTR1ADRD3SIGMAR1 |
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 |
| EP-0724572-B1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1998-12-16 | — | — | EP | disclosed |