Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ampyrone. 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 | 0.57 |
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.57 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.57 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.57 |
| ▸ | MC3R | P41968 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.57 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.57 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.57 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Propyphenazone SCHEMBL29624579 | 0.85 | ADORA3 (0.62) | PTGS2ADORA2BADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL27463339 | 0.79 | ADORA2B (0.76) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Ampyrone SCHEMBL18159502 | 0.78 | BCHE (1.00) | BCHEPTGS2POLBADORA3TSHR | |
| Ampyrone SCHEMBL11674586 | 0.78 | BCHE (1.00) | BCHEPTGS2POLBADORA3TSHR | |
| Ampyrone SCHEMBL128544 | 0.78 | BCHE (1.00) | BCHEPTGS2POLBADORA3TSHR | |
| Ampyrone SCHEMBL10746988 | 0.77 | BCHE (0.96) | BCHEPTGS2POLBADORA3TSHR | |
| Ampyrone SCHEMBL1830291 | 0.77 | BCHE (0.96) | BCHEPTGS2POLBADORA3TSHR | |
| Caffeine SCHEMBL29590919 | 0.75 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL8569482 | 0.75 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL29549294 | 0.75 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1615892-A | Prescription of compound antipyretic analgesic containing etenzamide and its preparing method | LI JIE (CN) | 2005-05-18 | — | — | CN | disclosed |