Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL66735 | 1.00 | THRB (1.00) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL30488775 | 1.00 | THRB (1.00) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromide SCHEMBL27743796 | 0.98 | THRB (0.95) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Methyl Alcohol SCHEMBL21134117 | 0.96 | THRB (0.91) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromomethane SCHEMBL208217 | 0.94 | THRB (0.88) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL28937357 | 0.92 | THRB (0.84) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Dimethylamine SCHEMBL10338435 | 0.92 | THRB (0.84) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL14973506 | 0.87 | TDP1 (0.77) | THRBTDP1APEX1ALDH1A1HSP90AA1 | |
| Propanol SCHEMBL27824437 | 0.85 | THRB (0.72) | THRBTDP1APEX1PDK2CHRM2 | |
| SCHEMBL1101030 | 0.85 | THRB (0.73) | THRBTDP1APEX1PDK2ALDH1A1 |
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-0019796-A1 | Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-12-10 | — | — | EP | disclosed |