Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL50876 | 0.95 | TSHR (0.67) | TSHRTDP1TP53PPARDCA1 | |
| Phosphoric Acid SCHEMBL27816279 | 0.92 | TSHR (0.57) | TSHRTDP1TP53PPARDCA12 | |
| SCHEMBL237626 | 0.89 | — | — | |
| Acetonitrile SCHEMBL29047125 | 0.83 | TSHR (0.52) | TSHRTDP1TP53PPARDMEN1 | |
| SCHEMBL11213966 | 0.83 | TSHR (0.52) | TSHRTDP1TP53PPARDCA12 | |
| SCHEMBL11215033 | 0.82 | — | — | |
| SCHEMBL27603132 | 0.81 | TSHR (0.50) | TSHRTDP1TP53PPARD | |
| SCHEMBL25176949 | 0.80 | — | — | |
| SCHEMBL29245294 | 0.80 | TSHR (0.55) | TSHRTDP1TP53PPARDCA1 | |
| SCHEMBL29245287 | 0.80 | — | — |
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 |