Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10553550 | 0.87 | — | — | |
| SCHEMBL30297359 | 0.79 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL30297387 | 0.79 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL8082266 | 0.77 | — | — | |
| SCHEMBL992095 | 0.74 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL527578 | 0.74 | — | — | |
| SCHEMBL92797 | 0.74 | — | — | |
| SCHEMBL18256727 | 0.74 | — | — | |
| SCHEMBL4795861 | 0.74 | TSHR (0.40) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL4795863 | 0.74 | TSHR (0.40) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504309-B1 | Synthesis of acetoxyacetaldehyde | LEK PHARMACEUTICALS (SI) | 2014-08-06 | — | — | EP | disclosed |
| EP-2504309-A1 | SYNTHESIS OF ACETOXYACETALDEHYDE | LEK Pharmaceuticals d.d. (SI) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011064249-A1 | SYNTHESIS OF ACETOXYACETALDEHYDE | LEK PHARMACEUTICALS D.D. (SI) | 2011-06-03 | — | — | WO | disclosed |
| EP-2327683-A1 | Synthesis of acetoxyacetaldehyde | LEK Pharmaceuticals d.d. (SI) | 2011-06-01 | — | — | EP | disclosed |