Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | WHR1 | P49842 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| Picolamine SCHEMBL3669942 | 0.91 | WHR1 (0.43) | ADRA1AADRA1BWHR1 | |
| SCHEMBL2170706 | 0.89 | WHR1 (0.51) | ADRA1AADRA1BWHR1 | |
| SCHEMBL13361589 | 0.85 | WHR1 (0.49) | ADRA1AADRA1BWHR1 | |
| SCHEMBL2170268 | 0.84 | PDGFRB (0.45) | ADRA1AADRA1BWHR1 | |
| SCHEMBL14715341 | 0.82 | WHR1 (0.43) | ADRA1AADRA1BWHR1 | |
| SCHEMBL2188653 | 0.81 | ADRA1A (0.49) | ADRA1AADRA1B | |
| SCHEMBL2173344 | 0.81 | ADRA1A (0.61) | ADRA1AADRA1B | |
| SCHEMBL2170928 | 0.80 | L3MBTL1 (0.52) | — | |
| SCHEMBL2170380 | 0.79 | WHR1 (0.47) | ADRA1AADRA1BWHR1 | |
| SCHEMBL2170980 | 0.78 | WHR1 (0.48) | ADRA1AADRA1BWHR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |