Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Guaifenesin. 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 | 0.41 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.41 |
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.41 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.41 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.41 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.41 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Guaifenesin SCHEMBL2524333 | 0.99 | ADORA2B (0.43) | CYP1A2LMNAAGTR1ATAD2ADORA2B | |
| Guaifenesin SCHEMBL20358 | 0.89 | LMNA (0.55) | CYP1A2LMNAAGTR1ATAD2ADORA2B | |
| Guaifenesin SCHEMBL30669734 | 0.89 | LMNA (0.55) | CYP1A2LMNAAGTR1ATAD2ADORA2B | |
| Guaifenesin SCHEMBL8714199 | 0.85 | LMNA (0.58) | CYP1A2LMNAAGTR1ATAD2ADORA2B | |
| Theophylline Anhydrous SCHEMBL30327415 | 0.85 | ATAD2 (0.58) | CYP1A2LMNAATAD2ADORA2BADORA3 | |
| Theophylline Anhydrous SCHEMBL8714456 | 0.83 | CYP1A2 (0.62) | CYP1A2LMNAATAD2ADORA2BADORA3 | |
| Hydroxyzine SCHEMBL2526489 | 0.71 | HRH1 (0.55) | LMNAHIF1AMAPTMAPK1RXFP1 | |
| Theophylline Anhydrous SCHEMBL10494896 | 0.71 | ATAD2 (0.74) | CYP1A2LMNAATAD2ADORA2BADORA3 | |
| Hydrochloric Acid SCHEMBL11848599 | 0.69 | RXFP1 (0.56) | LMNAMAPK1RXFP1SMN1; SMN2 | |
| Theophylline Anhydrous SCHEMBL437957 | 0.68 | ATAD2 (0.84) | CYP1A2LMNAATAD2ADORA2BADORA3 |
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-20110240504-A1 | METHOD AND APPARATUS FOR PACKAGING AND DISPENSING PHARMACEUTICALS | APOTEX TECHNOLOGIES INC. (CA) | 2011-10-06 | — | — | US | disclosed |