Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | MDH1 | P40925 | 10/20 | 0.45 |
| ▸ | MDH2 | P40926 | 10/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | APAF1 | O14727 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11127186 | 0.84 | CYP3A4 (0.58) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL11125563 | 0.84 | CYP3A4 (0.68) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL11110682 | 0.84 | CYP3A4 (0.62) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL23703947 | 0.82 | CYP3A4 (0.60) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL338553 | 0.81 | CYP3A4 (0.64) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL988235 | 0.81 | CYP3A4 (0.58) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL1257955 | 0.79 | SMN1; SMN2 (0.66) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL11112284 | 0.77 | LMNA (0.47) | CYP3A4SMN1; SMN2SHBGHIF1AMEN1 | |
| SCHEMBL28747587 | 0.77 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL480668 | 0.77 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 |
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-0102324-A2 | Lipids and surfactants in an aqueous medium | CIBA-GEIGY AG (CH) | 1984-03-07 | — | — | EP | disclosed |