Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28245617 | 0.80 | CYP2A6 (0.41) | NQO2POLBCYP1A2CYP2A6NQO1 | |
| SCHEMBL28118837 | 0.77 | POLB (0.47) | NQO2POLBTRPM4CYP1A2CYP2A6 | |
| SCHEMBL2265917 | 0.77 | CYP2A6 (0.50) | NQO2POLBCYP1A2CYP2A6NQO1 | |
| SCHEMBL14092891 | 0.75 | CYP2A6 (0.44) | NQO2POLBCYP1A2CYP2A6NQO1 | |
| SCHEMBL27569032 | 0.74 | CYP2A6 (0.48) | NQO2POLBCYP1A2CYP2A6NQO1 | |
| SCHEMBL28634296 | 0.74 | IDO1 (0.58) | NQO2POLBTRPM4CYP1A2ALOX5 | |
| SCHEMBL29681720 | 0.74 | IDO1 (0.58) | NQO2POLBTRPM4CYP1A2ALOX5 | |
| SCHEMBL392914 | 0.74 | IDO1 (0.58) | NQO2POLBTRPM4CYP1A2ALOX5 | |
| SCHEMBL2352895 | 0.73 | PTPN22 (0.50) | NQO2TRPM4CYP1A2ALOX5PTPN22 | |
| SCHEMBL2219635 | 0.72 | ALDH1A1 (0.48) | NQO2POLBTRPM4CYP1A2CYP2A6 |
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-105753712-A | Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone | 常州大学 | 2016-07-13 | — | — | CN | disclosed |