Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 1/20 | 0.49 |
| ▸ | EHMT2 | Q96KQ7 | 5/20 | 0.46 |
| ▸ | CCR4 | P51679 | 10/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715436 | 0.88 | WHR1 (0.42) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2171214 | 0.86 | WHR1 (0.50) | WHR1EHMT2CCR4ADRA2AADRA2B | |
| SCHEMBL14715407 | 0.86 | EHMT2 (0.48) | WHR1EHMT2ADRA1DADRA1AADRA1B | |
| SCHEMBL14715357 | 0.85 | EHMT2 (0.45) | WHR1EHMT2 | |
| SCHEMBL14715363 | 0.81 | EHMT2 (0.44) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2170933 | 0.81 | WHR1 (0.50) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL14715415 | 0.80 | EHMT2 (0.43) | WHR1EHMT2 | |
| SCHEMBL14715448 | 0.79 | ADRA2A (0.47) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2170814 | 0.78 | WHR1 (0.45) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL14715393 | 0.78 | EHMT2 (0.45) | WHR1EHMT2ADRA1AADRA1B |
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 | claimed |