Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Proxyphylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 5/20 | 0.58 |
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.58 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.58 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.58 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.58 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.58 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.58 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.58 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.77 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.58 |
| ▸ | ALPL | P05186 | 1/20 | 0.58 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Dyphylline SCHEMBL30434822 | 0.94 | LMNA (0.72) | LMNASMN1; SMN2POLBATAD2ADORA2B | |
| Dyphylline SCHEMBL10890402 | 0.89 | LMNA (0.78) | LMNASMN1; SMN2POLBATAD2ADORA2B | |
| Dyphylline SCHEMBL8720586 | 0.88 | LMNA (0.77) | LMNASMN1; SMN2POLBATAD2ADORA2B | |
| Proxyphylline SCHEMBL35569 | 0.88 | LMNA (1.00) | LMNASMN1; SMN2POLBADORA2BMAPT | |
| (S)-Proxyphylline SCHEMBL35570 | 0.88 | LMNA (1.00) | LMNASMN1; SMN2POLBADORA2BMAPT | |
| Proxyphylline SCHEMBL11105304 | 0.84 | SMN1; SMN2 (0.67) | LMNASMN1; SMN2POLBADORA2BMAPK1 | |
| Theophylline Anhydrous SCHEMBL10494896 | 0.81 | ATAD2 (0.74) | LMNAATAD2ADORA2BPDE4AADORA1 | |
| Dyphylline SCHEMBL13724353 | 0.81 | LMNA (0.90) | LMNASMN1; SMN2POLBADORA2BMAPT | |
| Theophylline Anhydrous SCHEMBL3120783 | 0.80 | CYP1A2 (0.76) | LMNAATAD2ADORA2BPDE4AADORA1 | |
| Caffeine SCHEMBL2364081 | 0.79 | ATAD2 (0.74) | LMNAPOLBATAD2ADORA2BPDE4A |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |