Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.43 |
| ▸ | PRKACB | P22694 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27391597 | 0.73 | BRD4 (0.42) | BRD4ADRA1APRKACAPRKACGPRKACB | |
| SCHEMBL30489269 | 0.72 | PRKACA (0.48) | BRD4DAOADRA1APRKACAPRKACG | |
| SCHEMBL38665028 | 0.71 | DAO (0.50) | DAOPIK3CDAHRMAPTMEN1 | |
| SCHEMBL2633083 | 0.71 | DAO (0.50) | DAOPIK3CDAHRMAPTMEN1 | |
| SCHEMBL10917974 | 0.70 | BRD4 (0.56) | BRD4GAAMAPTADRB2ADRB1 | |
| SCHEMBL27217167 | 0.70 | BRD4 (0.45) | BRD4ADRA1APRKACAPRKACGPRKACB | |
| SCHEMBL3622506 | 0.70 | LMNA (0.58) | DAOGAAMAPTADRB1HTT | |
| SCHEMBL735447 | 0.70 | HTR2A (0.56) | AHRGAAMAPTMEN1CYP19A1 | |
| SCHEMBL7094550 | 0.69 | DAO (0.39) | DAOPIK3CDADORA2AHCRTR1HCRTR2 | |
| SCHEMBL13284389 | 0.69 | KDM4E (0.65) | DAOGAAMAPTHTTOPRM1 |
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-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |