Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 9/20 | 0.48 |
| ▸ | AHCY | P23526 | 5/20 | 0.46 |
| ▸ | ADCY5 | O95622 | 3/20 | 0.42 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.42 |
| ▸ | CHKB | Q9Y259 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21190302 | 1.00 | CHKA (0.48) | CHKAAHCYADCY5EZH2CHKB | |
| SCHEMBL19714860 | 0.93 | ADCY5 (0.48) | CHKAAHCYADCY5EZH2 | |
| SCHEMBL19820687 | 0.85 | AHCY (0.50) | CHKAAHCYADCY5EZH2ADORA2A | |
| SCHEMBL21190176 | 0.85 | AHCY (0.50) | CHKAAHCYADCY5EZH2ADORA2A | |
| SCHEMBL29353215 | 0.85 | AHCY (0.50) | CHKAAHCYADCY5EZH2ADORA2A | |
| SCHEMBL19714827 | 0.81 | ADCY5 (0.49) | CHKAAHCYADCY5EZH2ADORA2A | |
| SCHEMBL19714830 | 0.80 | ADCY5 (0.67) | CHKAAHCYADCY5EZH2 | |
| SCHEMBL19820530 | 0.79 | AHCY (0.51) | AHCYEZH2CYP1A2CYP3A4NFKB1 | |
| SCHEMBL21176114 | 0.77 | CHKA (0.68) | CHKACHKBALDH1A1 | |
| SCHEMBL21176115 | 0.77 | CHKA (0.68) | CHKACHKBALDH1A1 |
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-109790164-B | Purine and 3-deazapurine analogues as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2022-01-25 | — | — | CN | disclosed |
| WO-2018019681-A1 | PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2018-02-01 | — | — | WO | disclosed |