Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27365264 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL28510314 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL1711770 | 0.83 | PGR (0.47) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL287677 | 0.81 | MAOB (0.43) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL1410581 | 0.81 | ALDH1A1 (0.74) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL9997267 | 0.81 | CA1 (0.39) | ALDH1A1MAPK1CA1CA2CA5A | |
| Bromobenzene SCHEMBL28832826 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL28799034 | 0.80 | ACP1 (0.37) | ALDH1A1CA1CA2CA9S100A4 | |
| SCHEMBL5000 | 0.80 | — | — | |
| SCHEMBL101963 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA5ACA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017522-B | Preparation process of 2, 6-dibromobenzene methane sulfonyl chloride | 贵州大学 | 2021-01-05 | — | — | CN | claimed |
| CN-108017522-B | Preparation process of 2, 6-dibromobenzene methane sulfonyl chloride | 贵州大学 | 2021-01-05 | — | — | CN | disclosed |
| CN-108017522-B | Preparation process of 2, 6-dibromobenzene methane sulfonyl chloride | 贵州大学 | 2021-01-05 | — | — | CN | disclosed |
| CN-108017522-B | Preparation process of 2, 6-dibromobenzene methane sulfonyl chloride | 贵州大学 | 2021-01-05 | — | — | CN | disclosed |