Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 3/20 | 0.57 |
| ▸ | ESRRB | O95718 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ESRRG | P62508 | 1/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | STK17B | O94768 | 9/20 | 0.53 |
| ▸ | AURKA | O14965 | 2/20 | 0.53 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | BLK | P51451 | 2/20 | 0.53 |
| ▸ | BTK | Q06187 | 2/20 | 0.53 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.53 |
| ▸ | DAPK2 | Q9UIK4 | 2/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.53 |
| ▸ | TEK | Q02763 | 1/20 | 0.53 |
| ▸ | ITK | Q08881 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29254651 | 0.93 | ESRRB (0.57) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254633 | 0.90 | STK17B (0.63) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254648 | 0.86 | ESRRA (0.57) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254644 | 0.85 | CXCL12 (0.59) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254664 | 0.85 | MEN1 (0.61) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29255027 | 0.85 | ESRRA (0.56) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254631 | 0.84 | PNLIP (0.61) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29255381 | 0.84 | PNLIP (0.55) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254663 | 0.83 | PNLIP (0.56) | ESRRAESRRBESR1ESRRGESR2 | |
| SCHEMBL29254635 | 0.83 | ESRRA (0.54) | ESRRAESRRBESR1ESRRGESR2 |
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-118307504-A | Orange ketone derivative or analogue, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2024-07-09 | — | — | CN | disclosed |