Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709873 | 0.84 | ALDH1A1 (0.47) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL21816325 | 0.76 | KDM4E (0.50) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL24338023 | 0.70 | MAPT (0.46) | HTTALDH1A1ALOX15KDM4ETSHR | |
| Quinoxaline SCHEMBL8515111 | 0.70 | ALDH1A1 (0.44) | ALDH1A1HSD17B10ALOX15HDAC1HDAC6 | |
| SCHEMBL24338021 | 0.70 | ALDH1A1 (0.38) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL15715211 | 0.68 | HTT (0.41) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL3304131 | 0.68 | ALDH1A1 (0.40) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL31262543 | 0.68 | ALDH1A1 (0.41) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL24656113 | 0.68 | HTT (0.41) | HTTALDH1A1HSD17B10ALOX15MAPK10 | |
| SCHEMBL21816095 | 0.68 | ERN1 (0.37) | HTTALDH1A1HSD17B10ALOX15MAPK10 |
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-107935944-B | Diaryl urea quinoxaline derivative with anti-tumor activity and synthetic method thereof | 广西师范大学 | 2021-12-21 | — | — | CN | disclosed |
| CN-107935944-A | With the double aryl ureas quinoxaline derivants of antitumor activity and its synthetic method | 广西师范大学 | 2018-04-20 | — | — | CN | disclosed |