Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3319567 | 0.98 | ADRA1A (0.56) | ADRA1AADRA1B | |
| SCHEMBL13333056 | 0.92 | ADRA1A (0.53) | ADRA1AADRA1BADRA1D | |
| SCHEMBL3320049 | 0.90 | ADRA1A (0.56) | ADRA1AADRA1BADRA1D | |
| SCHEMBL2176843 | 0.90 | EHMT2 (0.46) | ADRA1AADRA1B | |
| SCHEMBL2173344 | 0.89 | ADRA1A (0.61) | ADRA1AADRA1BADRA1D | |
| SCHEMBL2207053 | 0.89 | ADRA1A (0.48) | ADRA1AADRA1BADRA1D | |
| SCHEMBL13333050 | 0.86 | ADRA1A (0.51) | ADRA1AADRA1B | |
| SCHEMBL13333054 | 0.86 | ADRA1A (0.50) | ADRA1AADRA1B | |
| SCHEMBL14715455 | 0.85 | ADRA1A (0.55) | ADRA1AADRA1BADRA1D | |
| SCHEMBL7919688 | 0.85 | EHMT2 (0.45) | ADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |