Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6077052 | 1.00 | HRH2 (0.44) | HRH2HRH3ADORA2AADORA1ADORA3 | |
| SCHEMBL6075443 | 0.91 | HRH2 (0.47) | HRH2HRH3ADORA2AADORA1ADORA3 | |
| SCHEMBL5732453 | 0.89 | ADORA3 (0.46) | HRH2HRH3ADORA2AADORA1ADORA3 | |
| SCHEMBL5733352 | 0.87 | ADORA3 (0.45) | HRH2HRH3ADORA2AADORA1ADORA3 | |
| SCHEMBL6075878 | 0.87 | ADORA1 (0.47) | ADORA2AADORA1ADORA3ADORA2BPDE4B | |
| SCHEMBL6075874 | 0.87 | ADORA1 (0.47) | ADORA2AADORA1ADORA3ADORA2BPDE4B | |
| SCHEMBL6075981 | 0.87 | FYN (0.46) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL6075985 | 0.87 | FYN (0.46) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL5732459 | 0.85 | ADORA1 (0.47) | ADORA2AADORA1ADORA3ADORA2BPDE4B | |
| SCHEMBL5732457 | 0.85 | ADORA1 (0.47) | ADORA2AADORA1ADORA3ADORA2BPDE4B |
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-7045526-B2 | Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-05-16 | — | — | US | claimed |