Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL2923984 | 0.79 | LMNA (0.46) | HSD11B1ALDH1A1RECQLMEN1HTT | |
| Biphenyl SCHEMBL413377 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CA1CA2CA9 | |
| Benzene SCHEMBL8170940 | 0.77 | — | — | |
| Fluorobenzene SCHEMBL27951760 | 0.76 | KMT2A (0.38) | HSD11B1MEN1KMT2AMAPK1 | |
| Naphthalene SCHEMBL8355966 | 0.76 | CYP2A6 (0.38) | ALDH1A1L3MBTL1CA1CA2CA9 | |
| Phenol SCHEMBL9645845 | 0.75 | TDP1 (0.46) | NPC1MEN1KMT2ACA1CA2 | |
| Chlorobenzene SCHEMBL8552009 | 0.75 | TSHR (0.46) | ALDH1A1MEN1KMT2AL3MBTL1TDP1 | |
| SCHEMBL10584897 | 0.75 | SRC (0.31) | CA1CA2CA9 | |
| Iodobenzene SCHEMBL28293584 | 0.75 | PTGS2 (0.32) | CA1CA2CA9 | |
| SCHEMBL28295418 | 0.74 | ALDH1A1 (0.50) | HSD11B1ALDH1A1NPC1RAB9AMEN1 |
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-109776526-A | Condensed cyclic triazole-(sulfonyl) Triazenes derivative and its preparation method and use | 西南医科大学 | 2019-05-21 | — | — | CN | disclosed |