Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.44 |
| ▸ | WHR1 | P49842 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 4/20 | 0.39 |
| ▸ | KMT5A | Q9NQR1 | 1/20 | 0.39 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715376 | 0.94 | WHR1 (0.46) | WHR1HDAC1EHMT1HDAC6EHMT2 | |
| SCHEMBL14715403 | 0.91 | WHR1 (0.41) | PDE5AWHR1HDAC1EHMT1HDAC6 | |
| SCHEMBL14715424 | 0.91 | WHR1 (0.42) | PDE5AWHR1HDAC1EHMT1HDAC6 | |
| SCHEMBL14715442 | 0.88 | WHR1 (0.44) | WHR1HDAC1EHMT1HDAC6EHMT2 | |
| SCHEMBL14715456 | 0.88 | WHR1 (0.39) | PDE5AWHR1HDAC1EHMT1HDAC6 | |
| SCHEMBL14715298 | 0.88 | WHR1 (0.44) | WHR1HDAC1EHMT1HDAC6EHMT2 | |
| SCHEMBL2172854 | 0.87 | PDE5A (0.47) | PDE5AWHR1HDAC1EHMT1HDAC6 | |
| SCHEMBL14715300 | 0.87 | KDM4E (0.38) | PDE5A | |
| SCHEMBL14715427 | 0.87 | PDGFRB (0.43) | WHR1 | |
| SCHEMBL14715274 | 0.86 | TACR3 (0.45) | DNMT3A |
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 |