Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244569 | 0.80 | GAA (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28248202 | 0.77 | ALDH1A1 (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7207341 | 0.76 | ALDH1A1 (0.37) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL974546 | 0.75 | GAA (0.40) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethane SCHEMBL28262604 | 0.75 | ALDH1A1 (0.37) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL9796662 | 0.74 | MMP8 (0.36) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28922395 | 0.74 | GAA (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27462311 | 0.74 | GAA (0.39) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1244583 | 0.74 | GAA (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL19690660 | 0.72 | MMP8 (0.42) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108707070-A | A kind of branched paraffin degradation biological marker and its synthetic method | 华东理工大学 | 2018-10-26 | — | — | CN | claimed |
| CN-108707070-A | A kind of branched paraffin degradation biological marker and its synthetic method | 华东理工大学 | 2018-10-26 | — | — | CN | disclosed |
| CN-108707070-A | A kind of branched paraffin degradation biological marker and its synthetic method | 华东理工大学 | 2018-10-26 | — | — | CN | disclosed |