Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.38 |
| ▸ | DRD4 | P21917 | 9/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5648717 | 0.86 | KCNH2 (0.47) | DRD4KCNH2 | |
| SCHEMBL5252749 | 0.83 | KCNH2 (0.39) | CNR2ABCB1KCNH2 | |
| SCHEMBL3691027 | 0.78 | CYP2D6 (0.33) | CNR2KCNH2 | |
| SCHEMBL3691984 | 0.78 | DRD4 (0.40) | DRD4 | |
| SCHEMBL5265635 | 0.76 | DRD4 (0.36) | DRD4EPHA2KDREPHB4KCNH2 | |
| SCHEMBL3695685 | 0.74 | DRD4 (0.30) | DRD4 | |
| SCHEMBL5318472 | 0.72 | KCNH2 (0.37) | KCNH2 | |
| SCHEMBL5254761 | 0.72 | SLC2A1 (0.40) | KCNH2 | |
| SCHEMBL3687758 | 0.71 | CNR2 (0.33) | CNR2 | |
| SCHEMBL5254666 | 0.69 | KCNH2 (0.57) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |