Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.44 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11058131 | 0.97 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL11046863 | 0.92 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL11057370 | 0.91 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10694058 | 0.90 | PDE4A (0.63) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10693464 | 0.90 | PDE4A (0.63) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842841 | 0.85 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10695072 | 0.80 | MEN1 (0.69) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7323464 | 0.78 | PDE4A (0.93) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10696008 | 0.78 | ADORA2B (0.46) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10871504 | 0.77 | PDE4A (0.74) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4451449-A | VASCULAR FLOW CONTROL AGENTS | Wuelfing, Johanna (DE) | 1984-05-29 | — | — | US | disclosed |
| EP-0018135-B1 | XANTHINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-09-28 | — | — | EP | disclosed |
| EP-0018135-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | disclosed |