Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL50875 | 0.94 | — | — | |
| SCHEMBL11016486 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28072509 | 0.91 | TP53 (0.63) | TP53TDP1TSHRPPARDACHE | |
| SCHEMBL38664117 | 0.91 | TP53 (0.63) | TP53TDP1TSHRPPARDACHE | |
| Water SCHEMBL28325578 | 0.91 | TP53 (0.63) | TP53TDP1TSHRPPARDACHE | |
| Triethyl Phosphate SCHEMBL27983282 | 0.86 | TSHR (0.72) | TP53TDP1TSHRPPARD | |
| SCHEMBL31439209 | 0.83 | TP53 (0.48) | TP53TDP1TSHRPPARDCA12 | |
| SCHEMBL9128347 | 0.81 | TP53 (0.52) | TP53TDP1TSHRPPARDCA12 | |
| Acetonitrile SCHEMBL29047124 | 0.81 | TP53 (0.52) | TP53TDP1TSHRPPARDACHE | |
| SCHEMBL10615316 | 0.81 | TP53 (0.52) | TP53TDP1TSHRPPARDCA12 |
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-118479982-A | Triphenylamine probe for detecting sarin simulator diethyl chlorophosphate and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2024-08-13 | — | — | CN | disclosed |
| CN-117825346-A | Specific detection of sarin nerve agent mimic diethyl chlorophosphate by using fluorescent probe reagent | 中国科学院新疆理化技术研究所 | 2024-04-05 | — | — | CN | disclosed |