Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18862985 | 0.84 | KMT2A (0.58) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL18862986 | 0.84 | KMT2A (0.58) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL10792016 | 0.82 | TSHR (0.52) | ALDH1A1MAPTKMT2AGAAMAPK1 | |
| SCHEMBL11442366 | 0.80 | MAPK1 (0.42) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL8021779 | 0.79 | TDP1 (0.55) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL8021776 | 0.79 | TDP1 (0.55) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL28552872 | 0.78 | CES1 (0.46) | ALDH1A1MAPTGAAHTTMAPK1 | |
| SCHEMBL28552870 | 0.78 | CES1 (0.46) | ALDH1A1MAPTGAAHTTMAPK1 | |
| SCHEMBL17973372 | 0.78 | MAPK1 (0.47) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL8858950 | 0.77 | MAPK1 (0.59) | ALDH1A1MAPTKMT2AMAPK1CES1 |
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-113173829-A | Catalysis method for preparing amide through Beckmann rearrangement reaction of ketoxime | 清华大学 | 2021-07-27 | — | — | CN | claimed |
| CN-113173829-A | Catalysis method for preparing amide through Beckmann rearrangement reaction of ketoxime | 清华大学 | 2021-07-27 | — | — | CN | disclosed |