Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | EEF2K | O00418 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11085997 | 0.91 | GAA (0.47) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL30758302 | 0.87 | TBXA2R (0.42) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL29791196 | 0.87 | TBXA2R (0.42) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL11495829 | 0.85 | CES2 (0.46) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL23217529 | 0.84 | GAA (0.44) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL27728236 | 0.84 | CPA3 (0.45) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL27538066 | 0.84 | MMP2 (0.46) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL21632189 | 0.81 | CCR1 (0.43) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL21632058 | 0.81 | GABBR2 (0.45) | CNR2ALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL5685248 | 0.80 | EEF2K (0.50) | CNR2CYP1A2TSHRCPA3CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118652169-A | Preparation method of 4- (4-fluorophenyl) -4- (2-fluorophenyl) butyric acid | 湖南玉新药业有限公司 | 2024-09-17 | — | — | CN | disclosed |