Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28838171 | 0.83 | ESR1 (0.44) | HDAC1HDAC2CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL28105775 | 0.82 | HDAC1 (0.36) | HDAC1HDAC2CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL28105295 | 0.81 | CYP1A2 (0.47) | BACE1CYSLTR1CYSLTR2CYP2A6MEN1 | |
| SCHEMBL28312508 | 0.81 | HDAC1 (0.44) | HDAC1HDAC2BACE1CYSLTR1CYSLTR2 | |
| SCHEMBL266084 | 0.79 | BACE1 (0.49) | HDAC1HDAC2BACE1TLR2ERN1 | |
| SCHEMBL16621472 | 0.79 | BACE1 (0.49) | HDAC1HDAC2BACE1TLR2CYSLTR1 | |
| SCHEMBL30718562 | 0.79 | BACE1 (0.49) | HDAC1HDAC2BACE1TLR2CYSLTR1 | |
| SCHEMBL7510557 | 0.77 | CYSLTR1 (0.57) | CYSLTR1CYSLTR2GPBAR1PDE10A | |
| SCHEMBL27779108 | 0.76 | BACE1 (0.53) | HDAC1HDAC2BACE1TLR2CYP2A6 | |
| SCHEMBL28313537 | 0.76 | HDAC1 (0.33) | HDAC1HDAC2CYSLTR1CYSLTR2PDE10A |
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-110156760-A | A kind of preparation method of 4- (1,4- dioxane -2- base) quinoline -2- methyl formate derivative | 济南大学 | 2019-08-23 | — | — | CN | disclosed |