Known targets — ChEMBL curated mechanism
ADORA2AADORA2BPDE10APDE1APDE1BPDE1CPDE2APDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE6APDE6BPDE6CPDE6DPDE6GPDE6HPDE7APDE7BPDE8APDE8BPDE9A
The experimentally established mechanism targets of Pentoxifylline. 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 | 0.86 |
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.86 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.86 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.86 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.86 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 5/20 | 0.86 |
| ▸ | LMNA | P02545 | 2/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.86 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.86 |
| ▸ | ACHE | P22303 | 2/20 | 0.86 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.86 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.86 |
| ▸ | USP2 | O75604 | 1/20 | 0.86 |
| ▸ | TSHR | P16473 | 1/20 | 0.86 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.86 |
| ▸ | ESR1 | P03372 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | BLM | P54132 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| Pentoxifylline SCHEMBL3986204 | 0.93 | ADORA2B (1.00) | TNFADORA2BPDE4ALMNACYP1A2 | |
| Pentoxifylline SCHEMBL34039 | 0.93 | ADORA2B (1.00) | TNFADORA2BPDE4ALMNACYP1A2 | |
| Pentoxifylline SCHEMBL8140331 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8696287 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8687521 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL9123538 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8150960 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL9123561 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8686347 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8687852 | 0.92 | ADORA2B (0.97) | TNFADORA2BPDE4ALMNACYP1A2 |
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-1026112-C | Process of preparing hydroxyalkylxanthines and medicines containing them and uses thereof | HOECHST AG (DE) | 1994-10-05 | — | — | CN | disclosed |