Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.47 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.47 |
| ▸ | AKT2 | P31751 | 6/20 | 0.42 |
| ▸ | PRKACA | P17612 | 2/20 | 0.42 |
| ▸ | PRKACG | P22612 | 2/20 | 0.42 |
| ▸ | PRKACB | P22694 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | NEK2 | P51955 | 4/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29761016 | 0.74 | TOP2A (0.54) | CDC7BRAFLMNA | |
| SCHEMBL16033875 | 0.74 | NPY5R (0.38) | CDC7DBF4 | |
| SCHEMBL3492637 | 0.73 | AKT2 (0.50) | CDC7DBF4AKT2PRKACAPRKACG | |
| SCHEMBL29761040 | 0.71 | RET (0.41) | BRAFPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL30495981 | 0.71 | AKT2 (0.44) | CDC7DBF4AKT2PRKACAPRKACG | |
| SCHEMBL29031959 | 0.71 | AKT2 (0.44) | CDC7DBF4AKT2PRKACAPRKACG | |
| SCHEMBL9792784 | 0.71 | NPY5R (0.45) | — | |
| SCHEMBL29500425 | 0.71 | NPY5R (0.45) | — | |
| SCHEMBL17604548 | 0.70 | NPY5R (0.38) | CDC7DBF4 | |
| SCHEMBL29761041 | 0.70 | AKT2 (0.43) | CDC7DBF4AKT2PRKACAPRKACG |
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 |
|---|---|---|---|---|---|---|---|
| CN-116425756-A | Adenosine receptor antagonist compounds and uses thereof | 日东制药株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-114829363-A | Adenosine receptor antagonist compounds | 日东制药株式会社 | 2022-07-29 | — | — | CN | disclosed |