Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 5/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28957488 | 0.91 | GAA (0.42) | ALDH1A1KDM4EGAAHPGDCTSB | |
| Ethoxycarbonyl Group SCHEMBL28294735 | 0.84 | HRH4 (0.38) | ALDH1A1KDM4EHPGDCTSBCTSS | |
| Ethoxycarbonyl Group SCHEMBL28294731 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDNPY2RHSD17B10 | |
| SCHEMBL28296408 | 0.80 | LTA4H (0.43) | ALDH1A1KDM4EGAAHPGDHTR6 | |
| Ethoxycarbonyl Group SCHEMBL28873297 | 0.78 | GAA (0.48) | ALDH1A1KDM4EGAAHPGDHTR6 | |
| SCHEMBL28957487 | 0.71 | GAA (0.43) | ALDH1A1KDM4EGAAHPGDHTR6 | |
| Ethoxycarbonyl Group SCHEMBL28296379 | 0.71 | HTR6 (0.37) | ALDH1A1KDM4EGAAHTR6MEN1 | |
| SCHEMBL29563874 | 0.70 | KDM4E (0.42) | ALDH1A1KDM4EGAAHPGDHTR6 | |
| SCHEMBL8728142 | 0.69 | HTR6 (0.51) | ALDH1A1HTR6HTR2AKMT2A | |
| SCHEMBL22273612 | 0.69 | KDM4E (0.42) | ALDH1A1KDM4EGAAHPGDHTR6 |
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-109651297-A | A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application | 杭州壹瑞医药科技有限公司 | 2019-04-19 | — | — | CN | disclosed |