Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15937 | 0.82 | MGAM (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL2637934 | 0.82 | MGAM (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL261461 | 0.82 | MGAM (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8178055 | 0.76 | GAA (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1246334 | 0.76 | MGAM (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8217960 | 0.75 | MGAM (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL234997 | 0.75 | MGAM (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL4375315 | 0.75 | MGAM (0.35) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL4390957 | 0.75 | MGAM (0.35) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL4381196 | 0.75 | MGAM (0.35) | GAAMGAMSIMGAM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012059798-A2 | NOVEL METHOD FOR RACEMIZATION OF OPTICALLY PURE β-CYANO ESTER TO CORRESPONDING RACEMIC β-CYANO ACID | LUPIN LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |