Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL114543 | 0.89 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL4998896 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL9661126 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL4385875 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL5388290 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| Hydrogen Sulfide SCHEMBL28421942 | 0.86 | TDP1 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL31175999 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL8539745 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL29518645 | 0.86 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL1728695 | 0.84 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2F2 |
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-116354841-B | Method for synthesizing formamide by catalyzing lower amine and carbon dioxide by polymer-based catalyst | 中国科学院兰州化学物理研究所 | 2024-06-14 | — | — | CN | disclosed |
| CN-116354841-A | Method for synthesizing formamide by catalyzing lower amine and carbon dioxide by polymer-based catalyst | 中国科学院兰州化学物理研究所 | 2023-06-30 | — | — | CN | disclosed |