Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 12/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11355379 | 0.87 | TP53 (0.49) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10815371 | 0.84 | ADORA2A (0.51) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9294204 | 0.83 | ADORA2A (0.50) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL516023 | 0.82 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9293404 | 0.80 | KMT2A (0.74) | ADORA2BKMT2A | |
| SCHEMBL9294300 | 0.79 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL11057370 | 0.78 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL5235343 | 0.76 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9294500 | 0.75 | ADORA2A (0.59) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL10813293 | 0.74 | PDE4A (0.61) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3998953-A | 1,3,7-Trisubstitued xanthine peripheral vasodilators | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-21 | — | — | US | disclosed |