Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853249 | 0.87 | TDP1 (0.62) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL15870697 | 0.86 | TDP1 (0.49) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL11453340 | 0.86 | TNF (0.53) | TDP1LMNAALDH1A1HTTPOLB | |
| SCHEMBL9076943 | 0.86 | TDP1 (0.56) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL1757227 | 0.83 | TDP1 (0.53) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL28908606 | 0.83 | TNF (0.60) | TDP1LMNAALDH1A1HTTPOLB | |
| SCHEMBL7215852 | 0.82 | TDP1 (0.55) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL4414650 | 0.82 | TDP1 (0.51) | TDP1LMNAALDH1A1HTTTP53 | |
| SCHEMBL3065790 | 0.81 | TDP1 (0.62) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL5194206 | 0.81 | TDP1 (0.62) | TDP1LMNAALDH1A1HTTGAA |
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-109748841-B | Method for catalyzing asymmetric synthesis of chiral beta-aminoketone derivative | 浙江工业大学 | 2021-06-01 | — | — | CN | claimed |
| CN-109748841-B | Method for catalyzing asymmetric synthesis of chiral beta-aminoketone derivative | 浙江工业大学 | 2021-06-01 | — | — | CN | disclosed |