Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | VHL | P40337 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12630708 | 0.75 | CHEK1 (0.51) | EGLN2CHEK1KDM5BVHLKDR | |
| SCHEMBL30354463 | 0.73 | HPGDS (0.53) | CHEK1KDRHDAC1HDAC6IKBKE | |
| SCHEMBL16059998 | 0.73 | HPGDS (0.53) | CHEK1KDRHDAC1HDAC6IKBKE | |
| SCHEMBL30354464 | 0.73 | HPGDS (0.53) | CHEK1KDRHDAC1HDAC6IKBKE | |
| SCHEMBL9215880 | 0.73 | CYP2A6 (0.47) | KDRHDAC1HDAC6PIK3CD | |
| SCHEMBL70602 | 0.72 | CHEK1 (0.63) | EGLN2CHEK1ADORA2ADGAT1GABRP | |
| SCHEMBL28506211 | 0.72 | HDAC1 (0.44) | ADORA2AHDAC1HDAC6RIPK1MCL1 | |
| SCHEMBL31588411 | 0.72 | CHEK1 (0.63) | EGLN2CHEK1ADORA2ADGAT1GABRP | |
| SCHEMBL11557196 | 0.71 | ALDH1A1 (0.60) | ADORA2ARIPK1MCL1IKBKETBK1 | |
| SCHEMBL17116597 | 0.70 | DGAT1 (0.48) | EGLN2CHEK1VHLDGAT1TRPA1 |
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-115368350-A | PyrOX ligand containing electron-rich group at 5-position of pyridine | 兰州大学 | 2022-11-22 | — | — | CN | disclosed |