Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.45 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 5/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28946278 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EHSD17B10CYP2C19 | |
| SCHEMBL3031684 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL17063919 | 0.76 | KDM4E (0.53) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL29280158 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HPGDKDM4EHSD17B10PKM | |
| SCHEMBL7815535 | 0.76 | MYC (0.57) | ALDH1A1HPGDKDM4EHSD17B10CYP2C19 | |
| SCHEMBL3824202 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL460066 | 0.75 | KDM4E (0.69) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL8877908 | 0.75 | MYC (0.58) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL955863 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EHSD17B10PKM | |
| SCHEMBL28876830 | 0.74 | ALDH1A1 (0.62) | ALDH1A1KDM4EPKMCYP2C19MAPK1 |
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-114560862-A | Synthesis method of pyrrolo [1,2-A ] quinoxaline-4 (5H) -ketone and derivative thereof | 山东龙辰药业有限公司 | 2022-05-31 | — | — | CN | disclosed |