Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.72 |
| ▸ | PDE4A | P27815 | 1/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | BRD2 | P25440 | 1/20 | 0.58 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.58 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | PNP | P00491 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | BRAF | P15056 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21389538 | 0.89 | BRD4 (0.73) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL19090393 | 0.89 | PDE4A (0.63) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL556233 | 0.84 | BRD4 (0.82) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL19090444 | 0.84 | BRD4 (1.00) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL12257284 | 0.81 | PDE4A (0.80) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL6346663 | 0.81 | ADORA2A (0.59) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL9351794 | 0.80 | BRD4 (0.71) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL9351810 | 0.80 | BRD4 (0.74) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL10571805 | 0.80 | PDE4A (0.78) | BRD4PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL7607643 | 0.79 | PDE4A (0.74) | BRD4PDE4AADORA2APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0319854-B1 | Process for the methylation of xanthins | BOEHRINGER INGELHEIM KG (DE) | 1994-03-02 | — | — | EP | disclosed |
| EP-0319854-A2 | Process for the methylation of xanthins | BOEHRINGER INGELHEIM KG (DE) | 1989-06-14 | — | — | EP | disclosed |