Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28277174 | 1.00 | ACHE (0.71) | ACHETSHRALDH1A1CES2CES1 | |
| SCHEMBL29488781 | 0.84 | — | — | |
| SCHEMBL11837 | 0.84 | — | — | |
| Formaldehyde SCHEMBL27341516 | 0.82 | ACHE (0.83) | ACHETSHRALDH1A1CES2CES1 | |
| SCHEMBL28557764 | 0.82 | ACHE (0.83) | ACHETSHRALDH1A1CES2CES1 | |
| O-Xylene SCHEMBL31425598 | 0.82 | TSHR (0.62) | ACHETSHRALDH1A1NPC1RAB9A | |
| SCHEMBL29176814 | 0.82 | — | — | |
| O-Xylene SCHEMBL29860873 | 0.82 | TSHR (0.62) | ACHETSHRALDH1A1NPC1RAB9A | |
| O-Xylene SCHEMBL163751 | 0.82 | TSHR (0.62) | ACHETSHRALDH1A1NPC1RAB9A | |
| Fluoride SCHEMBL21816907 | 0.82 | ACHE (0.94) | ACHETSHRALDH1A1GAANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115594612-A | Synthetic method and application of fluorotoluene diisocyanate | 西安近代化学研究所（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-115594612-A | Synthetic method and application of fluorotoluene diisocyanate | 西安近代化学研究所（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-115594612-A | Synthetic method and application of fluorotoluene diisocyanate | 西安近代化学研究所（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-115594612-A | Synthetic method and application of fluorotoluene diisocyanate | 西安近代化学研究所（CN） | 2023-01-13 | — | — | CN | disclosed |