Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | SLC18A3 | Q16572 | 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 | |
|---|---|---|---|---|
| SCHEMBL5252749 | 0.88 | KCNH2 (0.39) | CNR2SIGMAR1KCNH2 | |
| SCHEMBL3687758 | 0.87 | CNR2 (0.33) | CYP2D6CYP2C19CNR2HTR1AADRA1D | |
| SCHEMBL5651599 | 0.85 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL5430924 | 0.81 | KCNH2 (0.35) | SIGMAR1KCNH2SLC18A3 | |
| SCHEMBL3699165 | 0.78 | CNR2 (0.38) | CNR2KCNH2 | |
| SCHEMBL5319422 | 0.75 | KCNH2 (0.35) | SIGMAR1KCNH2SLC18A3 | |
| SCHEMBL3697149 | 0.74 | HTR1A (0.35) | HTR1AADRA1DADRA1AADRA1BSIGMAR1 | |
| SCHEMBL5254761 | 0.74 | SLC2A1 (0.40) | HTR1AADRA1DADRA1AADRA1BSIGMAR1 | |
| SCHEMBL5254666 | 0.73 | KCNH2 (0.57) | KCNH2 | |
| SCHEMBL5649376 | 0.72 | KCNH2 (0.38) | CYP2D6ADRA1AKCNH2OPRM1 |
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 |