Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4656878 | 0.88 | CYP4F2 (0.59) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL2409302 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL4656411 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL1919090 | 0.80 | CYP4F2 (0.63) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL7315343 | 0.80 | CYP4F2 (0.53) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL28184957 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPTCYP1A2CYP3A4 | |
| SCHEMBL4658102 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL7318441 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL9445177 | 0.78 | CYP4F2 (0.54) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E | |
| SCHEMBL21824095 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TDP1CYP4F2CYP4A11KDM4E |
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-0077662-B1 | PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF | ETHYL CORPORATION (US) | 1985-10-02 | — | — | EP | disclosed |