Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 20/20 | 0.67 |
| ▸ | DRD3 | P35462 | 19/20 | 0.67 |
| ▸ | DRD2 | P14416 | 16/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13007861 | 1.00 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2CYP2D6 | |
| SCHEMBL14516184 | 1.00 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2CYP2D6 | |
| SCHEMBL13007868 | 0.91 | KCNH2 (0.69) | KCNH2DRD3DRD2CYP1A2CYP2D6 | |
| SCHEMBL14516791 | 0.91 | KCNH2 (0.69) | KCNH2DRD3DRD2CYP1A2CYP2D6 | |
| SCHEMBL13061583 | 0.91 | KCNH2 (0.69) | KCNH2DRD3DRD2CYP1A2CYP2D6 | |
| SCHEMBL11911817 | 0.86 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2 | |
| SCHEMBL4551714 | 0.86 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2 | |
| SCHEMBL378340 | 0.86 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2 | |
| SCHEMBL5242674 | 0.86 | KCNH2 (0.67) | KCNH2DRD3DRD2CYP1A2 | |
| SCHEMBL11911826 | 0.83 | KCNH2 (0.67) | KCNH2DRD3DRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7855298-B2 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2010-12-21 | — | — | US | disclosed |