Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28522891 | 0.83 | MAPT (0.37) | P2RX4CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL28511883 | 0.75 | MEN1 (0.40) | CYP2D6GSK3BALDH1A1CYP3A4CYP2C9 | |
| Sulfuric Acid SCHEMBL28528641 | 0.74 | MEN1 (0.39) | CYP2D6GSK3BALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL2909081 | 0.73 | CYP24A1 (0.42) | VDRCYP2D6GSK3BHDAC3HDAC4 | |
| SCHEMBL28523723 | 0.72 | MAPT (0.37) | CYP2D6GSK3BALDH1A1CYP3A4LMNA | |
| SCHEMBL28515181 | 0.71 | MAPT (0.38) | ALDH1A1CYP3A4CYP2C9LMNA | |
| SCHEMBL28631114 | 0.71 | ALDH1A1 (0.39) | VDRCYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9004674 | 0.69 | VDR (0.38) | VDRP2RX4CYP2D6GSK3BALDH1A1 | |
| SCHEMBL11547668 | 0.69 | GSK3B (0.40) | CYP2D6GSK3BALDH1A1CYP2C19LMNA | |
| SCHEMBL6535402 | 0.68 | VDR (0.36) | VDRP2RX4CYP2D6GSK3BALDH1A1 |
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-108570019-B | Acidic ionic liquid and catalytic application thereof | 大连理工大学 | 2021-02-26 | — | — | CN | disclosed |