Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.31 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.31 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31674872 | 0.84 | S100A4 (0.47) | S100A4GPR3CYP2A6PDK2CHEK1 | |
| SCHEMBL17068901 | 0.84 | S100A4 (0.47) | S100A4GPR3CYP2A6PDK2CHEK1 | |
| SCHEMBL30968565 | 0.84 | S100A4 (0.47) | S100A4GPR3CYP2A6PDK2CHEK1 | |
| SCHEMBL31465791 | 0.82 | S100A4 (0.50) | S100A4GPR3CYP2A6PDK2CHEK1 | |
| SCHEMBL20599056 | 0.81 | S100A4 (0.46) | S100A4GPR3CYP2A6PDK2NPBWR1 | |
| SCHEMBL29282857 | 0.81 | S100A4 (0.41) | S100A4GPR3CYP2A6PDK2CHEK1 | |
| SCHEMBL30883375 | 0.80 | S100A4 (0.48) | S100A4GPR3PTPN1ITGA1HSD11B1 | |
| SCHEMBL20687373 | 0.80 | S100A4 (0.44) | S100A4GPR3CYP2A6PTPN1PTPRC | |
| SCHEMBL29029629 | 0.78 | IDO1 (0.32) | S100A4CYP2A6PTPRCIDO1DNMT1 | |
| SCHEMBL28478846 | 0.77 | ELANE (0.47) | CYP2A6PDK2PTPRCALDH1A1 |
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-113527330-B | Compound and application thereof | 北京鼎材科技有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-113527330-A | Compound and application thereof | 北京鼎材科技有限公司 | 2021-10-22 | — | — | CN | disclosed |