Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 6/20 | 0.49 |
| ▸ | PDE4A | P27815 | 4/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16208786 | 0.81 | PDE4A (0.45) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19375505 | 0.79 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL17445714 | 0.67 | KDM4E (0.52) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8060268 | 0.67 | TNF (0.63) | TNFPDE4APDE4BPDE4CPDE4D | |
| Iodide SCHEMBL28472258 | 0.67 | TNF (0.47) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4557788 | 0.66 | TNF (0.46) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18119890 | 0.66 | TNF (0.67) | TNFPDE4APDE4BPDE4CPDE4D | |
| Pentoxifylline SCHEMBL34039 | 0.66 | ADORA2B (1.00) | TNFPDE4APDE4BPDE4CPDE4D | |
| Pentoxifylline SCHEMBL3986204 | 0.66 | ADORA2B (1.00) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9123408 | 0.66 | PDE4A (0.52) | TNFPDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016159747-A1 | ETHYNYLXANTHINES, PREPARATION AND USE AS CALCIUM ION CHANNEL MODULATORS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016159745-A1 | ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016159746-A1 | NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |