Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | SOAT1 | P35610 | 4/20 | 0.43 |
| ▸ | SOAT2 | O75908 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28868452 | 0.94 | TRPA1 (0.49) | TRPA1CYP1A2KIF11ALDH1A1NPY1R | |
| SCHEMBL28643723 | 0.82 | SOAT1 (0.54) | SOAT1SOAT2TRIM58KCNH3ALDH1A1 | |
| SCHEMBL6231339 | 0.81 | TRPA1 (0.46) | TRPA1CYP1A2MAPTABL1CNR2 | |
| SCHEMBL5647753 | 0.81 | KIF11 (0.55) | KIF11ABL1 | |
| SCHEMBL7089257 | 0.79 | ALDH1A1 (0.52) | SOAT1SOAT2TRIM58KCNH3ALDH1A1 | |
| SCHEMBL27669287 | 0.79 | ALDH1A1 (0.52) | SOAT1SOAT2TRIM58KCNH3ALDH1A1 | |
| SCHEMBL25590656 | 0.77 | LMNA (0.54) | ALDH1A1MAPTABL1NPY1RNPY5R | |
| SCHEMBL5647265 | 0.76 | KIF11 (0.56) | KIF11 | |
| SCHEMBL7574473 | 0.76 | RIPK1 (0.49) | TRPA1CYP1A2MAPTCNR2 | |
| SCHEMBL6235877 | 0.75 | LMNA (0.55) | ALDH1A1MAPTABL1NPY1RNPY5R |
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 |
|---|---|---|---|---|---|---|---|
| CN-115232019-B | Synthesis method of 3-acetamido benzotrifluoride compound | 闽江学院 | 2023-10-27 | — | — | CN | disclosed |
| CN-115232019-A | Synthetic method of 3-acetamido benzotrifluoride compound | 闽江学院 | 2022-10-25 | — | — | CN | disclosed |