Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 9/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.34 |
| ▸ | HRH1 | P35367 | 5/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570231 | 0.89 | ADRA1A (0.38) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL13055245 | 0.89 | ADRA1A (0.38) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL13054264 | 0.85 | ADRA1A (0.37) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7576425 | 0.85 | ADRA1A (0.37) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7581538 | 0.83 | AKR1A1 (0.33) | — | |
| SCHEMBL7589035 | 0.82 | AKR1A1 (0.35) | — | |
| SCHEMBL7583944 | 0.81 | OPRD1 (0.37) | CYP2D6 | |
| SCHEMBL7584467 | 0.81 | OPRM1 (0.34) | ADRA1AADRA1DADRA1B | |
| SCHEMBL7579947 | 0.81 | TP53 (0.31) | — | |
| SCHEMBL7589121 | 0.81 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |