Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSPA1A | P0DMV8 | 2/20 | 0.33 |
| ▸ | HSPA8 | P11142 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAPDH | P04406 | 1/20 | 0.33 |
| ▸ | GNG2 | P59768 | 1/20 | 0.33 |
| ▸ | GNB1 | P62873 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28218475 | 0.74 | KDM4E (0.50) | KDM4ELMNAHSPA1AHSPA8HPGD | |
| SCHEMBL28218014 | 0.70 | KDM4E (0.38) | KDM4ELMNAHSPA1AHSPA8HPGD | |
| SCHEMBL28218019 | 0.70 | HDAC4 (0.50) | KDM4ELMNAHPGDALOX15HSD17B10 | |
| SCHEMBL9625067 | 0.67 | KDM4E (0.50) | KDM4ELMNAHPGDMAPK1ALDH1A1 | |
| SCHEMBL28218015 | 0.66 | ELANE (0.40) | KDM4ELMNAHSPA1AHSPA8HPGD | |
| SCHEMBL23567431 | 0.62 | HSD11B1 (0.46) | ALOX15HSD17B10MAPK1CYP2C19ALDH1A1 | |
| SCHEMBL16401280 | 0.62 | NOTUM (0.44) | HPGDALOX15HSD17B10MAPK1CYP2C19 | |
| SCHEMBL10900007 | 0.62 | KDM4E (0.48) | KDM4ELMNAHPGDALOX15HSD17B10 | |
| SCHEMBL10943763 | 0.59 | — | — | |
| SCHEMBL18094477 | 0.58 | CFTR (0.35) | KDM4ELMNA |
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-105524034-B | Preparation, pharmacological action and the application for treating cerebral ischemia of coumarin derivative | 北京大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-105566269-B | Preparation, pharmacological action and the application for treating itch of coumarin derivative | 北京大学 | 2018-07-10 | — | — | CN | disclosed |
| CN-105524034-A | Preparation method of coumarin derivative, pharmacological effect of coumarin derivative and use of coumarin derivative in treatment on cerebral ischemia | UNIV BEIJING | 2016-04-27 | — | — | CN | disclosed |