Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 20/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618019 | 0.91 | DRD4 (0.52) | DRD4DRD2 | |
| SCHEMBL8618835 | 0.91 | DRD4 (0.51) | DRD4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8619300 | 0.89 | DRD4 (0.45) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8621587 | 0.89 | DRD4 (0.59) | DRD4DRD2 | |
| SCHEMBL8616978 | 0.89 | DRD4 (0.52) | DRD4DRD2 | |
| SCHEMBL8622390 | 0.80 | LTA4H (0.44) | CYP2D6 | |
| SCHEMBL8709993 | 0.79 | DRD4 (0.45) | DRD4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8708425 | 0.78 | DRD4 (0.48) | DRD4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8709137 | 0.77 | DRD4 (0.53) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7498335 | 0.76 | DRD4 (0.52) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 |
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-5753654-A | GASTROINTESTINAL DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5736550-A | TREATMENT OF GASTROINTESTINAL TRACT DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |