Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299386 | 1.00 | ESR1 (0.47) | ESR1ESR2KIF11BLMHTT | |
| SCHEMBL3914141 | 0.89 | ESR1 (0.50) | ESR1ESR2KIF11BLMSMN1; SMN2 | |
| SCHEMBL7300913 | 0.83 | SMN1; SMN2 (0.39) | KIF11SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL7300908 | 0.83 | SMN1; SMN2 (0.39) | KIF11SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL20541470 | 0.80 | HTT (0.54) | KIF11HTTHIF1AALDH1A1 | |
| SCHEMBL4560569 | 0.77 | HTT (0.51) | KIF11HTTSMN1; SMN2HIF1AALDH1A1 | |
| SCHEMBL29450628 | 0.76 | SMN1; SMN2 (0.44) | KIF11SMN1; SMN2HIF1A | |
| SCHEMBL28095334 | 0.75 | ARG1 (0.52) | KIF11SMN1; SMN2HIF1A | |
| SCHEMBL29985359 | 0.75 | GAA (0.46) | KIF11SMN1; SMN2HIF1AALDH1A1 | |
| SCHEMBL28730305 | 0.74 | ESR1 (0.58) | ESR1ESR2SMN1; SMN2ALDH1A1CYP3A4 |
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-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |