Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6688205 | 1.00 | CYP1A2 (0.48) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL29009945 | 0.82 | CYP1A2 (0.46) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL27508355 | 0.81 | SCN5A (0.46) | CYP1A2ALDH1A1KIF11 | |
| SCHEMBL1133623 | 0.81 | SCN5A (0.46) | CYP1A2ALDH1A1KIF11 | |
| SCHEMBL3384635 | 0.80 | CYP1A2 (0.56) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL27466589 | 0.79 | CYP1A2 (0.50) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL27602921 | 0.76 | CYP1A2 (0.47) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL15125011 | 0.75 | CYP1A2 (0.54) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL2456548 | 0.75 | CYP1A2 (0.54) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 | |
| SCHEMBL3433832 | 0.75 | CYP1A2 (0.54) | CYP1A2TSHRALDH1A1HIF1ACYP2C19 |
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-2004070049-A1 | THE ENZYMATIC METHOD OF MAKING ETHYL 3-HYDROXY-3-PHENYLPROPIONATE AND THEIR ESTERS | ENZYTECH, LTD. (KR) | 2004-08-19 | — | — | WO | disclosed |