Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29388772 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL28736739 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL28430136 | 0.72 | CFTR (0.57) | ALDH1A1HPGDLMNAUSP2CYP1A2 | |
| SCHEMBL29388744 | 0.72 | CFTR (0.57) | ALDH1A1HPGDLMNAUSP2CYP1A2 | |
| SCHEMBL28433786 | 0.70 | CFTR (0.55) | ALDH1A1HPGDLMNAUSP2CYP1A2 | |
| SCHEMBL11395176 | 0.70 | CYP1A2 (0.65) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL31070199 | 0.70 | KDM4E (0.74) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL8112450 | 0.70 | KDM4E (0.74) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL6491027 | 0.69 | CYP1A2 (0.68) | ALDH1A1HPGDLMNAUSP2CYP1A2 | |
| SCHEMBL28511165 | 0.68 | ALDH1A1 (0.73) | ALDH1A1KDM4EGAAHPGDLMNA |
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-111423388-B | 7-methoxy-3-phenylquinoxaline-2 (1H) -one derivative and preparation method and application thereof | 浙江工业大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-111423388-A | 7-methoxy-3-phenylquinoxaline-2 (1H) -one derivative and preparation method and application thereof | 浙江工业大学 | 2020-07-17 | — | — | CN | disclosed |