Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | PI4KA | P42356 | 3/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 3/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABL2 | P42684 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL29444625 | 0.92 | ADORA2A (0.48) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL15941621 | 0.84 | ADORA2A (0.63) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL15720194 | 0.82 | ADORA2A (0.70) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL17352601 | 0.81 | ADORA2A (0.65) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL2954550 | 0.80 | ADORA2A (0.66) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL2952924 | 0.77 | ADORA2A (0.51) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL2949862 | 0.77 | ADORA2A (0.51) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| Hydrochloric Acid SCHEMBL5626685 | 0.74 | AHCY (0.48) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| Hydrochloric Acid SCHEMBL7846299 | 0.74 | AHCY (0.54) | AHCYADORA2API4KAPI4K2BPI4K2A | |
| Sulfuric Acid SCHEMBL9424495 | 0.74 | CYP1A2 (0.63) | AHCYADORA2API4KAPI4K2BPI4K2A |
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-114149432-A | Dual CLK/CDK1 inhibitors for cancer treatment | 斯坦福国际研究院 | 2022-03-08 | — | — | CN | disclosed |
| CN-109937039-A | DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT | 斯坦福国际研究院 | 2019-06-25 | — | — | CN | disclosed |