Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | SGK1 | O00141 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076015 | 1.00 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL5733329 | 0.98 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL5733328 | 0.98 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL6075328 | 0.94 | SGK1 (0.44) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL6075331 | 0.94 | SGK1 (0.44) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL6075527 | 0.90 | ACP1 (0.45) | ADORA2AADORA1ADORA3TP53PDE4B | |
| SCHEMBL6075305 | 0.88 | MAPKAPK2 (0.41) | TP53PDE4BPDE4DACP1PTGS2 | |
| SCHEMBL6075310 | 0.88 | MAPKAPK2 (0.41) | TP53PDE4BPDE4DACP1PTGS2 | |
| SCHEMBL6076663 | 0.88 | ADORA1 (0.40) | ADORA2AADORA1ADORA3ADORA2BSGK1 | |
| SCHEMBL6076669 | 0.88 | ADORA1 (0.40) | ADORA2AADORA1ADORA3ADORA2BSGK1 |
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 |