Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 9/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2768622 | 0.91 | DRD4 (0.60) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL1502135 | 0.91 | DRD4 (0.60) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL2768626 | 0.91 | DRD4 (0.60) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4504836 | 0.90 | DRD4 (0.60) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4024060 | 0.90 | DRD4 (0.60) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL6230220 | 0.89 | DRD4 (0.61) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8330129 | 0.77 | CYP2D6 (0.49) | CYP2D6 | |
| SCHEMBL6162301 | 0.76 | DRD4 (0.67) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL6165547 | 0.76 | DRD4 (0.67) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL6162866 | 0.76 | DRD4 (0.67) | DRD4CYP1A2CYP2C9CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760368-B1 | PYRIMIDINE DERIVATIVES | NISSHIN FLOUR MILLING CO (JP) | 1999-07-28 | — | — | EP | disclosed |
| US-5736550-A | TREATMENT OF GASTROINTESTINAL TRACT DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0760368-A1 | NOVEL PYRIMIDINE DERIVATIVE | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1997-03-05 | — | — | EP | disclosed |