Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 9/20 | 0.46 |
| ▸ | EDNRA | P25101 | 9/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | FGR | P09769 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970851 | 1.00 | EDNRB (0.46) | EDNRBEDNRAADORA2APTPRCMAPK1 | |
| SCHEMBL1077190 | 0.85 | ALDH1A1 (0.41) | ADORA2APTPRCMEN1KMT2AHTR2B | |
| SCHEMBL5436457 | 0.79 | EDNRB (0.55) | EDNRBEDNRAPTPRCMAPK1CYP1A2 | |
| SCHEMBL27935289 | 0.77 | ALDH1A1 (0.50) | PTPRCMEN1KMT2AHTR2BALDH1A1 | |
| SCHEMBL10632615 | 0.76 | ALDH1A1 (0.56) | EDNRBEDNRAPTPRCMAPK1CYP1A2 | |
| SCHEMBL11663620 | 0.71 | EDNRB (0.47) | EDNRBEDNRAPTPRCMAPK1CYP1A2 | |
| SCHEMBL10635317 | 0.70 | CYP1A2 (0.53) | EDNRBEDNRAMAPK1CYP1A2MAOA | |
| SCHEMBL19772569 | 0.68 | EDNRB (0.44) | EDNRBEDNRAPTPRCMAPK1CYP1A2 | |
| SCHEMBL18721606 | 0.68 | ADORA2A (0.45) | EDNRBEDNRAADORA2AMAPK1CYP1A2 | |
| SCHEMBL6418811 | 0.67 | MAOA (0.57) | MAPK1MAOACSNK1A1CSNK1DCSNK1G1 |
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-109820853-B | Use of substituted heterocyclic compounds for the treatment of cancer | VM肿瘤药物有限责任公司 | 2022-05-10 | — | — | CN | disclosed |