Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PCK1 | P35558 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3986626 | 0.84 | PCK1 (0.63) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL4626790 | 0.83 | ADORA2A (0.58) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL3848060 | 0.82 | ADORA2A (0.57) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL3110928 | 0.81 | PNP (0.48) | ADORA2AADORA2BALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19066311 | 0.81 | ADORA2A (0.56) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL14796914 | 0.81 | ADORA2A (0.56) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL9644450 | 0.79 | ADORA2A (0.53) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL190990 | 0.79 | ADORA2A (0.59) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL5033085 | 0.78 | ADORA2B (0.62) | ADORA2AADORA2BPCK1 | |
| SCHEMBL3980633 | 0.77 | PCK1 (0.78) | ADORA2AADORA2BPCK1 |
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-2146996-A1 | XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT | AstraZeneca AB (SE) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008130314-A1 | XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |