Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 4/20 | 0.64 |
| ▸ | PTPRC | P08575 | 4/20 | 0.64 |
| ▸ | BCHE | P06276 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | STAT6 | P42226 | 1/20 | 0.53 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.53 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9185849 | 1.00 | S100A4 (0.64) | S100A4PTPRCBCHEACHECES1 | |
| SCHEMBL10948128 | 1.00 | S100A4 (0.64) | S100A4PTPRCBCHEACHECES1 | |
| SCHEMBL10946998 | 0.98 | S100A4 (0.62) | S100A4PTPRCBCHEACHECES1 | |
| SCHEMBL8100705 | 0.92 | S100A4 (0.66) | S100A4PTPRCBCHEACHECES1 | |
| SCHEMBL6262681 | 0.89 | S100A4 (0.71) | S100A4PTPRCBCHEACHECES1 | |
| SCHEMBL156735 | 0.85 | S100A4 (0.79) | S100A4PTPRCMAPTTDP1ALDH1A1 | |
| Anthraquinone SCHEMBL27736010 | 0.85 | S100A4 (0.79) | S100A4PTPRCMAPTTDP1ALDH1A1 | |
| SCHEMBL12604323 | 0.84 | PTPRC (0.61) | S100A4PTPRCBCHEACHECES1 | |
| Water SCHEMBL11135902 | 0.84 | S100A4 (0.77) | S100A4PTPRCMAPTTDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27539963 | 0.84 | S100A4 (0.77) | S100A4PTPRCMAPTTDP1ALDH1A1 |
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-115557841-B | Preparation method of 1-nitroanthraquinone compound | 浙江恒逸石化研究院有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-115557841-A | Preparation method of 1-nitroanthraquinone compound | 浙江恒逸石化研究院有限公司 | 2023-01-03 | — | — | CN | disclosed |