Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | USP7 | Q93009 | 4/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6470185 | 0.82 | TRPA1 (0.39) | ESR1ESR2USP7BACE1TRPA1 | |
| SCHEMBL19115496 | 0.78 | ESR1 (0.42) | ESR1ESR2BACE1TRPA1SHBG | |
| SCHEMBL29211012 | 0.78 | ESR1 (0.39) | ESR1ESR2BACE1TRPA1PRKCI | |
| SCHEMBL30478808 | 0.77 | PDE10A (0.45) | ESR1ESR2 | |
| SCHEMBL652985 | 0.77 | BACE1 (0.40) | ESR1ESR2BACE1TRPA1PRKCI | |
| SCHEMBL20475215 | 0.75 | HTR1D (0.33) | USP7 | |
| SCHEMBL5511605 | 0.75 | CA3 (0.39) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL858277 | 0.74 | TRPA1 (0.48) | ESR1ESR2BACE1TRPA1 | |
| SCHEMBL30026897 | 0.74 | TRPA1 (0.48) | ESR1ESR2BACE1TRPA1 | |
| SCHEMBL2848736 | 0.73 | GABRP (0.45) | ESR2 |
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-117778281-A | Recombinant genetic engineering bacterium and preparation method of (R) -2- (1-aminoethyl) -4-fluorophenol | 爱斯特（成都）生物制药股份有限公司 | 2024-03-29 | — | — | CN | disclosed |