Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28638260 | 0.85 | AR (0.53) | ESR2ESR1ESRRBESRRAAR | |
| SCHEMBL29955930 | 0.84 | ESR2 (0.42) | EGFRCA9MIFLCKESR2 | |
| SCHEMBL6561365 | 0.80 | ESR2 (0.39) | EGFRCA9MIFLCKESR2 | |
| SCHEMBL6010545 | 0.78 | MIF (0.56) | EGFRCA9MIFLCKESR2 | |
| SCHEMBL7195384 | 0.78 | RAD51 (0.40) | CA9ALDH1A1CA12CA2CA3 | |
| SCHEMBL584206 | 0.76 | ERN1 (0.52) | KDM4EALDH1A1GAATDP1 | |
| SCHEMBL1956935 | 0.76 | KDM4E (0.39) | ARKDM4EALDH1A1 | |
| SCHEMBL4973143 | 0.76 | ERN1 (0.52) | ALDH1A1 | |
| SCHEMBL29955682 | 0.76 | SRC (0.43) | ARKDM4EALDH1A1GAAPKM | |
| SCHEMBL29954838 | 0.76 | KDM4E (0.39) | ARKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115772137-A | Preparation method of febuxostat | 济宁晟泰药业有限公司 | 2023-03-10 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-108250127-A | A kind of preparation method of isoindoline ketone compound and its derivative | 陕西师范大学 | 2018-07-06 | — | — | CN | disclosed |