Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.42 |
| ▸ | MDH1 | P40925 | 1/20 | 0.41 |
| ▸ | MDH2 | P40926 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13190989 | 0.85 | HTT (0.66) | SMN1; SMN2HTTHIF1AARPOLB | |
| SCHEMBL15677164 | 0.84 | AR (0.62) | SMN1; SMN2CYP3A4HTTHIF1AAR | |
| SCHEMBL28000802 | 0.83 | CYP3A4 (0.61) | SMN1; SMN2CYP3A4HTTHIF1AAR | |
| SCHEMBL28001129 | 0.83 | CYP3A4 (0.61) | SMN1; SMN2CYP3A4HTTHIF1AAR | |
| SCHEMBL7879426 | 0.83 | CYP3A4 (0.61) | SMN1; SMN2CYP3A4HTTHIF1AAR | |
| SCHEMBL15677151 | 0.83 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP3A4HTTHIF1AAR | |
| SCHEMBL2108648 | 0.81 | HTT (0.48) | HTTHIF1AARPOLBMAPT | |
| SCHEMBL12267326 | 0.80 | HTT (0.59) | HTTHIF1AARPOLBMAPT | |
| SCHEMBL19677468 | 0.80 | HTT (0.59) | SMN1; SMN2HTTHIF1AARPOLB | |
| SCHEMBL14685191 | 0.79 | CYP3A4 (0.64) | SMN1; SMN2CYP3A4HTTHIF1ASHBG |
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 |
|---|---|---|---|---|---|---|---|
| US-8158088-B2 | Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds | BATTELLE ENERGY ALLIANCE, LLC (US) | 2012-04-17 | — | — | US | claimed |