Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 3/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 5/20 | 0.42 |
| ▸ | KMT5A | Q9NQR1 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.41 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2170706 | 0.93 | WHR1 (0.51) | WHR1EHMT2ADRA1AADRA1B | |
| SCHEMBL2172854 | 0.90 | PDE5A (0.47) | WHR1EHMT2KMT5AEHMT1 | |
| SCHEMBL13361589 | 0.85 | WHR1 (0.49) | WHR1ADRA1AADRA1B | |
| Picolamine SCHEMBL3669942 | 0.83 | WHR1 (0.43) | WHR1ADRA1AADRA1B | |
| SCHEMBL14715369 | 0.83 | PDE5A (0.44) | WHR1EHMT2KMT5ADNMT3AEHMT1 | |
| SCHEMBL2170928 | 0.83 | L3MBTL1 (0.52) | — | |
| SCHEMBL2173344 | 0.82 | ADRA1A (0.61) | ADRA1AADRA1B | |
| SCHEMBL2170380 | 0.82 | WHR1 (0.47) | WHR1EHMT2ADRA1AADRA1B | |
| Niacinamide SCHEMBL3669939 | 0.82 | ADRA1A (0.44) | WHR1ADRA1AADRA1B | |
| SCHEMBL2170980 | 0.81 | WHR1 (0.48) | 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 | disclosed |