Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL2601408 | 0.84 | CES2 (0.38) | CES2EPHX2ATMTSHRCYP3A4 | |
| SCHEMBL2600912 | 0.83 | CYP2C9 (0.42) | CES2ATMHCAR2TSHRHPGD | |
| SCHEMBL10271833 | 0.81 | CES2 (0.36) | CES2ATM | |
| SCHEMBL10239962 | 0.77 | CES2 (0.40) | CES2EPHX2ATMHCAR2TSHR | |
| SCHEMBL7744736 | 0.75 | CYP2C9 (0.30) | — | |
| SCHEMBL12997966 | 0.75 | CYP2C9 (0.30) | — | |
| SCHEMBL1902372 | 0.73 | CES2 (0.44) | CES2EP300TSHRALDH1A1 | |
| SCHEMBL17610271 | 0.73 | FFAR3 (0.33) | CES2EP300 | |
| SCHEMBL3355714 | 0.73 | FFAR3 (0.33) | CES2EP300 | |
| SCHEMBL3355710 | 0.73 | FFAR3 (0.33) | CES2EP300 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010147068-A1 | SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE | 塩野義製薬株式会社 (JP) | 2010-12-23 | — | — | WO | disclosed |