Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2816852 | 0.84 | CCNB2 (0.35) | ALDH1A1HPGDRAB9AKDM4EHSD17B10 | |
| SCHEMBL27914523 | 0.79 | ALDH1A1 (0.41) | NQO1ALDH1A1HPGDRAB9AKDM4E | |
| SCHEMBL27953799 | 0.75 | STAT3 (0.32) | ALDH1A1HPGDRAB9AKDM4EHSD17B10 | |
| SCHEMBL11061663 | 0.75 | STAT3 (0.43) | — | |
| SCHEMBL27957261 | 0.75 | NPBWR1 (0.32) | — | |
| Selenium SCHEMBL31663457 | 0.74 | STAT3 (0.41) | — | |
| SCHEMBL28761349 | 0.72 | STAT3 (0.36) | — | |
| Methoxymethane SCHEMBL28698428 | 0.72 | STAT3 (0.38) | — | |
| Methoxymethane SCHEMBL27581743 | 0.72 | STAT3 (0.38) | — | |
| SCHEMBL15809 | 0.72 | STAT3 (0.42) | — |
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-102408365-B | Method for preparing p-methylsulfonylbenzoic acid by catalytic oxidation of p-methylsulfonyl toluene through metalloporphyrin | UNIV BEIJING TECHNOLOGY | 2013-12-04 | — | — | CN | disclosed |
| CN-102329256-B | Method for preparing 2-nitro-4-methylsulfonylbenzoic acid through catalytic oxidation of 2-nitro-4-methylsulfonyltoluene by using metalloporphyrin | UNIV BEIJING TECHNOLOGY | 2013-12-04 | — | — | CN | disclosed |