Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.31 |
| ▸ | F11 | P03951 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3691027 | 0.87 | CYP2D6 (0.33) | CNR2CYP2D6CYP2C19HSP90AA1HSP90AB1 | |
| SCHEMBL5649376 | 0.85 | KCNH2 (0.38) | CYP2D6ADRA1A | |
| SCHEMBL5252749 | 0.81 | KCNH2 (0.39) | CNR2 | |
| SCHEMBL3694994 | 0.73 | — | — | |
| SCHEMBL5651599 | 0.72 | KCNH2 (0.46) | — | |
| SCHEMBL3698321 | 0.72 | HCRTR1 (0.35) | CYP2C19HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3688489 | 0.71 | HTR1A (0.33) | HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3699165 | 0.71 | CNR2 (0.38) | CNR2 | |
| SCHEMBL5430924 | 0.69 | KCNH2 (0.35) | — | |
| SCHEMBL5254761 | 0.67 | SLC2A1 (0.40) | HTR1AADRA1DADRA1AADRA1B |
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 |