Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27766616 | 0.92 | CYP3A4 (0.70) | CYP3A4TSHRMEN1KMT2ALMNA | |
| SCHEMBL34999 | 0.87 | CYP3A4 (0.68) | CYP3A4TSHRMEN1KMT2ALMNA | |
| Dioxane SCHEMBL28146643 | 0.85 | CYP3A4 (0.76) | CYP3A4TSHRMEN1KMT2ALMNA | |
| SCHEMBL34838 | 0.83 | CYP3A4 (0.79) | CYP3A4TSHRMEN1KMT2ALMNA | |
| Triphenyl Phosphate SCHEMBL4087814 | 0.81 | CYP3A4 (0.83) | CYP3A4TSHRMEN1KMT2ALMNA | |
| SCHEMBL9657737 | 0.81 | CYP3A4 (0.83) | CYP3A4TSHRMEN1KMT2ALMNA | |
| Toluene SCHEMBL28113409 | 0.81 | TSHR (0.83) | CYP3A4TSHRMEN1KMT2ALMNA | |
| SCHEMBL381595 | 0.81 | CYP3A4 (0.83) | CYP3A4TSHRMEN1KMT2ALMNA | |
| Triphenyl Phosphate SCHEMBL27323542 | 0.81 | CYP3A4 (0.83) | CYP3A4TSHRMEN1KMT2ALMNA | |
| SCHEMBL35597 | 0.81 | CYP3A4 (0.83) | CYP3A4TSHRMEN1KMT2ALMNA |
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-106973913-A | A kind of mixed herbicidal composite | 江苏莱科化学有限公司 | 2017-07-25 | — | — | CN | disclosed |