Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963015 | 0.89 | CYP3A4 (0.48) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL524133 | 0.88 | CES2 (0.47) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8157814 | 0.88 | CES2 (0.47) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL3864054 | 0.85 | CES2 (0.45) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4344873 | 0.85 | CES2 (0.45) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL597783 | 0.83 | EP300 (0.50) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL597781 | 0.83 | EP300 (0.50) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6971325 | 0.82 | CES1 (0.44) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5467265 | 0.81 | EP300 (0.53) | CES2CES1NAAATBXAS1 | |
| SCHEMBL6666634 | 0.81 | EP300 (0.53) | CES2CES1NAAATBXAS1 |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |