Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 9/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | ALPL | P05186 | 1/20 | 0.57 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CFTR | P13569 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL562691 | 0.80 | ADORA2B (0.64) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.74 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.74 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.74 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL4915 | 0.74 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1274777 | 0.73 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11459710 | 0.73 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8375983 | 0.73 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL21753826 | 0.73 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL5454758 | 0.73 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8003169-A | — | — | None | — | — | JP | disclosed |
| JP-8003169-A | — | — | None | — | — | JP | disclosed |
| JP-H083169-A | 4-METHYL-1H-(1,2,4)TRIAZOLO(1,5-A)PURIN-9(4H)-ONES | YAMASA SHOYU CO LTD | 1996-01-09 | — | — | JP | disclosed |
| JP-H083169-A | 4-METHYL-1H-(1,2,4)TRIAZOLO(1,5-A)PURIN-9(4H)-ONES | YAMASA SHOYU CO LTD | 1996-01-09 | — | — | JP | disclosed |