Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 3/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 5/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.40 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170700 | 0.93 | RET (0.39) | PDE5A | |
| SCHEMBL2170876 | 0.92 | WHR1 (0.43) | WHR1PDE5AEHMT2EHMT1HDAC1 | |
| SCHEMBL2170380 | 0.92 | WHR1 (0.47) | WHR1EHMT2ADRA1AADRA1B | |
| SCHEMBL2172854 | 0.91 | PDE5A (0.47) | WHR1PDE5AEHMT2EHMT1HDAC1 | |
| SCHEMBL2170496 | 0.87 | WHR1 (0.45) | WHR1EHMT2ADRA1AADRA1B | |
| SCHEMBL2171175 | 0.87 | WHR1 (0.45) | WHR1EHMT2ADRA1AADRA1B | |
| SCHEMBL3319375 | 0.87 | WHR1 (0.45) | WHR1EHMT2ADRA1AADRA1B | |
| SCHEMBL2170465 | 0.87 | RET (0.43) | WHR1PDE5AEHMT2EHMT1HDAC1 | |
| SCHEMBL2170268 | 0.85 | PDGFRB (0.45) | WHR1ADRA1AADRA1B | |
| SCHEMBL13333151 | 0.84 | WHR1 (0.40) | WHR1PDE5AEHMT1HDAC1HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346848-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-07-27 | — | — | EP | claimed |
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |