Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.59 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.40 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20703692 | 0.84 | BCAT2 (0.59) | BCAT2PARP1CHEK1PDK2IKBKB | |
| SCHEMBL10908563 | 0.83 | BCAT2 (0.77) | BCAT2PARP1CHEK1KDM4EALDH1A1 | |
| SCHEMBL16149659 | 0.79 | BCAT2 (0.91) | BCAT2PARP1CHEK1KDM4EALDH1A1 | |
| SCHEMBL28353842 | 0.78 | BCAT2 (0.75) | BCAT2PARP1CHEK1NPC1RAB9A | |
| SCHEMBL27597079 | 0.78 | FABP7 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28117118 | 0.77 | PTPN1 (0.36) | BCAT2PDK2ALDH1A1NPC1RAB9A | |
| SCHEMBL1456885 | 0.77 | BCAT2 (0.67) | BCAT2PARP1CHEK1KDM4EALDH1A1 | |
| SCHEMBL28096188 | 0.77 | BCAT2 (0.67) | BCAT2PARP1CHEK1PDK2NPC1 | |
| SCHEMBL1789847 | 0.77 | BCAT2 (0.67) | BCAT2PARP1CHEK1KDM4EALDH1A1 | |
| SCHEMBL28383531 | 0.77 | PARP1 (0.49) | PARP1AURKARPS6KB1KDM4EALDH1A1 |
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-104788333-A | 2-substituted-9,10-anthraquinone compounds, and preparation method and application thereof | UNIV CHINA MEDICAL | 2015-07-22 | — | — | CN | disclosed |