Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.48 |
| ▸ | ACP3 | P15309 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28537348 | 0.92 | MAPK1 (0.44) | NQO1KDM4EMAPK1TOP1 | |
| SCHEMBL28537368 | 0.87 | KDM4E (0.45) | NQO1KDM4EMAPK1TOP1 | |
| SCHEMBL28539636 | 0.87 | TOP2A (0.39) | NQO1KDM4EMAPK1TOP1THRB | |
| SCHEMBL28534246 | 0.87 | NQO1 (0.47) | NQO1KDM4EMAPK1TOP1 | |
| SCHEMBL28534244 | 0.87 | TOP2A (0.39) | NQO1KDM4EMAPK1TOP1 | |
| SCHEMBL28529758 | 0.83 | MAPT (0.53) | NQO1ACP3KDM4EMAPK1 | |
| SCHEMBL28531636 | 0.83 | ACP3 (0.44) | NQO1ACP3KDM4EMAPK1 | |
| SCHEMBL28910353 | 0.80 | NQO1 (0.44) | NQO1KDM4EMAPK1TOP1HDAC4 | |
| SCHEMBL28531260 | 0.78 | KDM4E (0.42) | NQO1ACP3KDM4EMAPK1TOP1 | |
| SCHEMBL28908810 | 0.76 | VKORC1 (0.50) | NQO1KDM4EMAPK1CA1CA2 |
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-112517060-B | Catalyst, application and synthesis method of 4-hydroxycoumarin derivative | 山东农业大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-112517060-A | Catalyst, application and synthesis method of 4-hydroxycoumarin derivative | 山东农业大学 | 2021-03-19 | — | — | CN | disclosed |