Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215149 | 0.94 | CES2 (0.44) | CES2CES1HCAR2 | |
| SCHEMBL6864034 | 0.87 | TSHR (0.38) | TSHRCES2CES1ALDH1A1CYP2D6 | |
| SCHEMBL14327476 | 0.87 | TSHR (0.42) | TSHRCES2CES1ALDH1A1CYP2D6 | |
| SCHEMBL5852063 | 0.82 | TSHR (0.43) | TSHRCES2CES1ALDH1A1PPARA | |
| SCHEMBL5050665 | 0.79 | TSHR (0.41) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL16174063 | 0.78 | TSHR (0.45) | TSHRCES2CES1ALDH1A1PPARA | |
| SCHEMBL18636079 | 0.78 | TSHR (0.39) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL13140448 | 0.78 | TSHR (0.43) | TSHRCES2CES1ALDH1A1ATM | |
| SCHEMBL13140335 | 0.77 | ALDH1A1 (0.47) | TSHRCES2CES1ALDH1A1CYP2D6 | |
| SCHEMBL3807287 | 0.76 | CES2 (0.48) | CES2CES1HCAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1016698-B1 | Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks | MITSUBISHI RAYON CO (JP) | 2004-09-22 | — | — | EP | claimed |
| EP-0629671-B1 | Solvent composition | MITSUBISHI RAYON CO (JP) | 2002-03-27 | — | — | EP | claimed |