Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28417442 | 0.93 | KDM4E (0.53) | KDM4EALDH1A1NTSR1CYP1A1CYP1A2 | |
| SCHEMBL28410646 | 0.93 | KDM4E (0.52) | KDM4EALDH1A1NTSR1CYP1A1CYP1A2 | |
| SCHEMBL28416321 | 0.90 | KDM4E (0.71) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28416319 | 0.90 | KDM4E (0.71) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28420019 | 0.87 | KDM4E (0.68) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28420022 | 0.87 | KDM4E (0.68) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28413339 | 0.86 | KDM4E (0.67) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28420996 | 0.86 | KDM4E (0.67) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28420995 | 0.86 | KDM4E (0.67) | KDM4EALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28413340 | 0.86 | KDM4E (0.67) | KDM4EALDH1A1HDAC3HDAC4HDAC1 |
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-111303027-A | Fluroxacin acrylketone derivative and preparation method and application thereof | 郑州工业应用技术学院 | 2020-06-19 | — | — | CN | disclosed |