Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.64 |
| ▸ | HPGD | P15428 | 6/20 | 0.64 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.64 |
| ▸ | TP53 | P04637 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.50 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7527814 | 0.84 | KDM4E (0.65) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL28088009 | 0.83 | ABCG2 (0.64) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL4649960 | 0.80 | KDM4E (0.76) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL29519168 | 0.78 | KDM4E (0.73) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL30667386 | 0.78 | KDM4E (1.00) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL4649962 | 0.78 | KDM4E (1.00) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL6129737 | 0.78 | KDM4E (0.73) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL28088013 | 0.77 | KMT2A (0.53) | KDM4ECYP3A4HPGDMAPTKMT2A | |
| SCHEMBL23373166 | 0.77 | KDM4E (0.57) | KDM4ECYP3A4HPGDMAPTTSHR | |
| SCHEMBL12203173 | 0.76 | NPC1 (0.59) | KDM4ECYP3A4HPGDMAPTTSHR |
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-105837539-A | Method for substituting 2-site aryl for 3-site fluoro of benzofuran ring | 复旦大学 | 2016-08-10 | — | — | CN | disclosed |