Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 3/20 | 0.60 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | STAT6 | P42226 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | APEX1 | P27695 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | PGAM1 | P18669 | 6/20 | 0.56 |
| ▸ | PKLR | P30613 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5031418 | 1.00 | BCL2 (0.60) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11515022 | 0.88 | ALDH1A1 (0.57) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11076558 | 0.87 | BCL2 (0.53) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL10905898 | 0.86 | TTR (0.56) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL29543649 | 0.84 | S100A4 (0.59) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11048949 | 0.82 | MAPT (0.64) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL11424411 | 0.79 | ALDH1A1 (0.62) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL25485875 | 0.79 | ALDH1A1 (0.92) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| Athraquinones A SCHEMBL27843357 | 0.78 | MAPT (0.73) | BCL2MCL1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL9353886 | 0.78 | S100A4 (0.55) | BCL2MCL1ALDH1A1CYP3A4MAPK1 |
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-110317137-B | 9, 10-anthraquinone compound or pharmaceutically acceptable salt thereof and pharmaceutical application thereof | 复旦大学 | 2022-04-19 | — | — | CN | disclosed |