Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511934 | 0.83 | ROCK2 (0.46) | KCNH2CNR1CNR2 | |
| SCHEMBL633958 | 0.75 | KCNH2 (0.54) | KCNH2CNR1CNR2SLC2A1 | |
| SCHEMBL591768 | 0.74 | KDM4E (0.51) | KCNH2 | |
| SCHEMBL5512371 | 0.73 | KCNH2 (0.58) | KCNH2SLC2A1 | |
| SCHEMBL6220896 | 0.71 | KCNH2 (0.40) | KCNH2 | |
| SCHEMBL5749909 | 0.70 | KCNH2 (0.57) | KCNH2CNR1CNR2 | |
| SCHEMBL5749905 | 0.70 | KCNH2 (0.49) | KCNH2CNR1CNR2SLC2A1 | |
| SCHEMBL5750585 | 0.70 | KCNH2 (0.49) | KCNH2CNR1CNR2SLC2A1 | |
| SCHEMBL590586 | 0.70 | KCNH2 (0.46) | KCNH2CNR1CNR2SLC2A1 | |
| SCHEMBL5750027 | 0.69 | KCNH2 (0.48) | KCNH2CNR1CNR2SLC2A1 |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |