Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 4/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28230093 | 0.76 | CDK1 (0.48) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27886646 | 0.76 | CFTR (0.49) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27870411 | 0.76 | CFTR (0.49) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27870413 | 0.76 | XDH (0.58) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27886637 | 0.75 | PI4KA (0.64) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL17802613 | 0.75 | CFTR (0.49) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28861601 | 0.72 | PI4KA (0.68) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL17802588 | 0.71 | CFTR (0.76) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13557085 | 0.68 | PI4KA (0.43) | CFTRPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL722198 | 0.67 | PDPK1 (0.77) | LOXL2ADORA2APDPK1HSP90AA1ADORA1 |
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-1946405-B | Use of 9h-purine-2,6-diamine derivatives in the treatment of proliferative diseases and novel 9h-purine-2,6-diamine derivatives | NOVARTIS AG | 2010-10-13 | — | — | CN | disclosed |