Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | PRKCA | P17252 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14683437 | 0.91 | ALDH1A1 (0.56) | ALDH1A1PRKCALMNATSHRCYP3A4 | |
| SCHEMBL17359777 | 0.85 | PRKCA (0.53) | ALDH1A1PRKCALMNATSHRCYP3A4 | |
| SCHEMBL22832632 | 0.80 | LMNA (0.57) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL12971071 | 0.77 | LMNA (0.54) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL12971093 | 0.77 | LMNA (0.54) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL13539162 | 0.76 | LMNA (0.46) | ALDH1A1PRKCALMNATSHRCYP3A4 | |
| SCHEMBL97514 | 0.75 | LMNA (0.79) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL28978386 | 0.75 | LMNA (0.79) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL1869078 | 0.75 | LMNA (0.79) | ALDH1A1LMNATSHRCYP3A4CYP1A2 | |
| SCHEMBL1868286 | 0.75 | ALDH1A1 (1.00) | ALDH1A1PRKCALMNATSHRMAPK1 |
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-2013017254-A1 | OLIGOSACCHARIDES AND OLIGOSACCHARIDE-PROTEIN CONJUGATES DERIVED FROM CLOSTRIDIUM DIFFICILE POLYSACCARIDE PS-I, METHODS OF SYNTHESIS AND USES THEREOF, IN PARTICULAR AS VACCINES AND DIAGNOSTIC TOOLS | MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V (DE) | 2013-02-07 | — | — | WO | disclosed |