Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | PKLR | P30613 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | FABP6 | P51161 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3219770 | 0.86 | PKM (0.41) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL31693812 | 0.79 | LMNA (0.46) | HTTPIK3CBPIK3CGPIK3CDPKM | |
| SCHEMBL29484012 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL2616332 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL29066278 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HTTRECQLRORCNR1H2 | |
| Hydrochloric Acid SCHEMBL11430803 | 0.77 | PIK3CB (0.38) | ALDH1A1HTTPIK3CBPIK3CGPIK3CD | |
| SCHEMBL5905906 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL24826392 | 0.75 | NR3C1 (0.44) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL17169807 | 0.75 | RIPK1 (0.40) | ALDH1A1HTTRECQLRORCNR1H2 | |
| SCHEMBL25704180 | 0.75 | AR (0.45) | ALDH1A1HTTRECQLRORCNR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2925757-B1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2017-10-04 | — | — | EP | disclosed |