Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.68 |
| ▸ | DRD3 | P35462 | 2/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL2819451 | 1.00 | KCNH2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL378647 | 1.00 | KCNH2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2056310 | 1.00 | KCNH2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL378080 | 1.00 | KCNH2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10107788 | 1.00 | KCNH2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4713835 | 0.98 | KCNH2 (0.67) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30138612 | 0.84 | P2RY14 (0.57) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5245207 | 0.83 | SLC6A2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5420499 | 0.83 | SLC6A2 (0.68) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14937795 | 0.83 | SLC6A2 (0.54) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007750-B1 | AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LTD (GB) | 2013-08-21 | — | — | EP | disclosed |
| EP-1891057-B1 | AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2010-10-27 | — | — | EP | disclosed |