Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28811135 | 0.88 | GPR84 (0.50) | GPR84TDP1CYP3A4TSHRNFKB1 | |
| SCHEMBL27959780 | 0.86 | GPR84 (0.58) | GPR84NFKB1FFAR4FFAR1 | |
| SCHEMBL4744958 | 0.84 | GPR84 (0.61) | GPR84NFKB1FFAR4FFAR1 | |
| SCHEMBL27937093 | 0.82 | — | — | |
| SCHEMBL1171425 | 0.80 | GPR84 (0.41) | GPR84CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL8862336 | 0.80 | GPR84 (0.41) | GPR84CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2590996 | 0.80 | GPR84 (0.41) | GPR84CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL9319754 | 0.80 | GPR84 (0.41) | GPR84CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL5483236 | 0.78 | MGAM (0.46) | GPR84CHRM1TDP1CYP3A4TSHR | |
| SCHEMBL28829536 | 0.78 | GPR84 (0.39) | GPR84CHRM1AKR1A1CHRM3HTR2A |
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-104230880-B | The simple and convenient process for preparing of 2-((4R, 6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-yl) acetic acid esters | XINFA PHARMACEUTICAL CO., LTD. (CN) | 2016-05-04 | — | — | CN | disclosed |