Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Etamiphyllin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | PDE4A | P27815 | 2/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Etamiphyllin SCHEMBL355304 | 0.97 | ADORA2B (0.67) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL683551 | 0.89 | ADORA2B (0.70) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL6741317 | 0.88 | ADORA2B (0.71) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL683897 | 0.88 | ADORA2B (0.71) | ADORA2BLMNAMAPTPDE4APDE4B | |
| Dimethazan SCHEMBL49056 | 0.84 | PDE4A (0.73) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL11381846 | 0.84 | ADORA2B (0.64) | ADORA2BLMNAMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL16120984 | 0.83 | ADORA2B (0.81) | ADORA2BLMNAMAPTALDH1A1SMN1; SMN2 | |
| Etamiphyllin SCHEMBL28142820 | 0.83 | LMNA (0.66) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL8443037 | 0.82 | ADORA2B (0.77) | ADORA2BLMNAMAPTPDE4APDE4B | |
| SCHEMBL684274 | 0.81 | ADORA2B (0.67) | ADORA2BLMNAMAPTPDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |