Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | PI4KA | P42356 | 2/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | NT5C2 | P49902 | 2/20 | 0.45 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL28864069 | 0.85 | PI4KA (0.49) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2843842 | 0.80 | TOP2A (0.51) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5241436 | 0.79 | TSHR (0.54) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL1749123 | 0.79 | PI4KA (0.53) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL4520816 | 0.79 | PI4KA (0.48) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27376395 | 0.78 | MKNK1 (0.57) | BRD4LMNALRRK2BRAFTSHR | |
| SCHEMBL31456991 | 0.78 | MKNK1 (0.57) | BRD4LMNALRRK2BRAFTSHR | |
| SCHEMBL27796380 | 0.77 | PI4KA (0.52) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2399636 | 0.76 | PI4KA (0.46) | BRD4PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL30484606 | 0.75 | TSHR (0.50) | PI4KAPI4K2BPI4K2API4KBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602825-A | Purine compounds having anticancer activity | 中央研究院 | 2018-09-28 | — | — | CN | disclosed |