Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | WHR1 | P49842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170821 | 0.97 | PDE10A (0.44) | PDE10APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2176847 | 0.90 | HCRTR1 (0.45) | PDE10APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13333113 | 0.88 | ADRA1A (0.43) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL13333129 | 0.88 | ADRA1A (0.45) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL2171720 | 0.85 | WHR1 (0.42) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL2170814 | 0.85 | WHR1 (0.45) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL2173365 | 0.83 | ADRA1A (0.51) | ADRA1AADRA1B | |
| SCHEMBL2173189 | 0.82 | EHMT2 (0.46) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7919891 | 0.81 | EHMT2 (0.42) | WHR1 | |
| SCHEMBL2171214 | 0.81 | WHR1 (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |