Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 15/20 | 0.53 |
| ▸ | 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 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2933580 | 0.81 | DRD4 (0.57) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31663802 | 0.81 | DRD4 (0.57) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1947037 | 0.81 | DRD4 (0.57) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5437188 | 0.80 | DRD4 (0.56) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25062785 | 0.78 | DRD4 (0.57) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2769599 | 0.76 | DRD4 (0.61) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2310082 | 0.76 | DRD4 (0.61) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL724263 | 0.76 | DRD4 (0.61) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8719930 | 0.76 | DRD4 (0.66) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23089521 | 0.76 | DRD4 (0.55) | 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-5763604-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5677448-A | CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-10-14 | — | — | US | disclosed |