Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5890294 | 0.77 | NQO1 (0.62) | NQO1ESR1ESR2CA1CA2 | |
| SCHEMBL28583369 | 0.75 | NQO1 (0.59) | NQO1BCL2MCL1ESR1ESR2 | |
| SCHEMBL3984952 | 0.75 | ABL1 (0.59) | NQO1ESR1ESR2CA2CA9 | |
| SCHEMBL9457332 | 0.74 | ALOX5 (0.61) | ESR1ESR2ALOX5MEN1KMT2A | |
| SCHEMBL82736 | 0.71 | NQO1 (0.61) | NQO1MCL1ESR1ESR2TDP1 | |
| SCHEMBL83468 | 0.71 | NQO1 (0.54) | NQO1BCL2MCL1ESR1ESR2 | |
| SCHEMBL278516 | 0.71 | NQO1 (1.00) | NQO1BCL2MCL1ESR1ESR2 | |
| SCHEMBL321298 | 0.69 | NQO1 (0.65) | NQO1BCL2MCL1ESR1ESR2 | |
| SCHEMBL49762 | 0.69 | ESR1 (0.65) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL29286369 | 0.67 | NQO1 (0.70) | NQO1BCL2MCL1CA1CA2 |
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-110343121-A | The preparation method and application of double-(10- deoxygenates dihydroartemisinine)-phloroglucin conjugate | 云白药征武科技(上海)有限公司 | 2019-10-18 | — | — | CN | claimed |
| CN-110078748-A | The preparation method and application of double-(10- deoxygenates dihydroartemisinine)-phloroglucin conjugate | 云白药征武科技(上海)有限公司 | 2019-08-02 | — | — | CN | claimed |