Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.75 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.66 |
| ▸ | PDE4A | P27815 | 10/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.64 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.64 |
| ▸ | ALPL | P05186 | 1/20 | 0.64 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CFTR | P13569 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | PDE2A | O00408 | 1/20 | 0.61 |
| ▸ | PDE5A | O76074 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL23073728 | 0.86 | ADORA2B (1.00) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| SCHEMBL295963 | 0.83 | ADORA2B (0.78) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| SCHEMBL7554983 | 0.81 | ADORA2B (0.74) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL28323421 | 0.80 | ATAD2 (0.93) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL28870701 | 0.80 | ADORA2B (0.83) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL4915 | 0.80 | ATAD2 (1.00) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.80 | ATAD2 (1.00) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.80 | ATAD2 (1.00) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.80 | ATAD2 (1.00) | ADORA2BATAD2PDE4APDE4BPDE4C | |
| SCHEMBL27620327 | 0.79 | ATAD2 (0.72) | ADORA2BATAD2PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573934-B | The inhibition of transient receptor potential A1 ion channel | 伊莱利利公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-106573934-A | Inhibiting the transient receptor potential A1 ion channel | 海德拉生物科学公司 | 2017-04-19 | — | — | CN | disclosed |