Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CBS | P35520 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.32 |
| ▸ | PAM | P19021 | 2/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9123930 | 1.00 | CES2 (0.42) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL9122483 | 0.98 | EPHX2 (0.40) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL8694378 | 0.91 | — | — | |
| SCHEMBL18660231 | 0.88 | CES2 (0.50) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL7713583 | 0.88 | CES2 (0.50) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL22922164 | 0.85 | CES2 (0.48) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL10001230 | 0.85 | CES2 (0.46) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL23405393 | 0.83 | CES2 (0.46) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL20535086 | 0.83 | CES2 (0.46) | CES2CYP2C19EPHX2CYP4F2CYP4A11 | |
| SCHEMBL22922080 | 0.83 | CES2 (0.44) | CES2CYP2C19EPHX2CYP4F2CYP4A11 |
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-1091745-B1 | TREATMENT OF HYPERPROLIFERATIVE DISORDERS | CHILDREN S HOSPITAL LOS ANGELE (US) | 2008-10-01 | — | — | EP | claimed |