Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PRNP | P04156 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28458555 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL28450170 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL14144076 | 0.77 | MAPK14 (0.62) | GPBAR1ALDH1A1LMNAKDM4EL3MBTL1 | |
| SCHEMBL31070199 | 0.77 | KDM4E (0.74) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL8112450 | 0.77 | KDM4E (0.74) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL6304505 | 0.71 | KDM4E (0.62) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL28459393 | 0.71 | ALDH1A1 (0.60) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL932888 | 0.70 | PRNP (0.49) | ALDH1A1LMNAKDM4EL3MBTL1NPSR1 | |
| SCHEMBL28430136 | 0.70 | CFTR (0.57) | GPBAR1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL29388744 | 0.70 | CFTR (0.57) | GPBAR1ALDH1A1LMNAMEN1KMT2A |
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-111499585-B | Quinoxaline derivative and preparation method and application thereof | 浙江工业大学 | 2022-02-22 | — | — | CN | disclosed |
| CN-111499585-A | Quinoxaline derivative and preparation method and application thereof | 浙江工业大学 | 2020-08-07 | — | — | CN | disclosed |