Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propentofylline. 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 | 3/20 | 0.78 |
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.56 |
| ▸ | PDE4A | P27815 | 7/20 | 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 |
| ▸ | ESR1 | P03372 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 1/20 | 0.86 |
| ▸ | BLM | P54132 | 1/20 | 0.86 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.78 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.78 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.78 |
| ▸ | TNF | P01375 | 4/20 | 0.78 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.78 |
| ▸ | USP2 | O75604 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Propentofylline SCHEMBL74602 | 0.93 | PDE4A (1.00) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7800905 | 0.92 | PDE4A (0.98) | PDE4ALMNACYP1A2NFKB1ACHE | |
| Pentoxifylline SCHEMBL13723539 | 0.89 | TNF (0.88) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7798793 | 0.89 | PDE4A (0.93) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL7800864 | 0.88 | PDE4A (0.91) | PDE4ALMNACYP1A2NFKB1ACHE | |
| Pentoxifylline SCHEMBL34039 | 0.88 | ADORA2B (1.00) | PDE4ALMNACYP1A2NFKB1ACHE | |
| Pentoxifylline SCHEMBL3986204 | 0.88 | ADORA2B (1.00) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11345748 | 0.87 | PDE4A (0.89) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL10788889 | 0.87 | PDE4A (0.89) | PDE4ALMNACYP1A2NFKB1ACHE | |
| SCHEMBL11347084 | 0.87 | PDE4A (0.89) | PDE4ALMNACYP1A2NFKB1ACHE |
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 |