Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | POLH | Q9Y253 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | APEX1 | P27695 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401209 | 1.00 | EPHX2 (0.54) | EPHX2CYP3A4CYP2D6POLHKDM4E | |
| SCHEMBL13377325 | 0.87 | POLH (0.52) | EPHX2CYP3A4CYP2D6POLHKDM4E | |
| SCHEMBL13377545 | 0.84 | CYP3A4 (0.56) | CYP3A4CYP2D6POLHKDM4EPOLB | |
| SCHEMBL14401119 | 0.84 | CYP3A4 (0.56) | CYP3A4CYP2D6POLHKDM4EPOLB | |
| SCHEMBL14401129 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2D6POLHKDM4EPOLB | |
| SCHEMBL14383525 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2D6POLHKDM4EPOLB | |
| SCHEMBL14383519 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2D6POLHKDM4EPOLB | |
| SCHEMBL6689193 | 0.78 | EPHX2 (0.84) | EPHX2CYP3A4CYP2D6POLHKDM4E | |
| SCHEMBL13393799 | 0.78 | NQO2 (0.66) | EPHX2CYP3A4KDM4EPOLBAPEX1 | |
| SCHEMBL14384087 | 0.77 | CYP3A4 (0.54) | CYP3A4CYP2D6POLHKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1718658-B1 | FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINS | MERCK PATENT GMBH (DE) | 2010-04-28 | — | — | EP | disclosed |