Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 8/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL638306 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL8674764 | 0.72 | MAPT (0.44) | CYP1A2CYP2D6CA1CA2CA5A | |
| SCHEMBL26193589 | 0.72 | CA1 (0.52) | CYP1A2CA1CA2CA5ACA9 | |
| Hydrochloric Acid SCHEMBL27908053 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL28024028 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL28752261 | 0.71 | MAPT (0.52) | CYP1A2CYP2D6CA1CA2CA5A | |
| SCHEMBL15462549 | 0.71 | CA1 (0.47) | CYP1A2CYP2D6CA1CA2CA5A | |
| SCHEMBL5164760 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CA1CA2CA5A | |
| SCHEMBL20483451 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CA1CA2CA5A | |
| SCHEMBL622048 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2D6KCNN4MAPTKMT2A |
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-110590609-A | Fluorine-containing sulfonyl compound, intermediate, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2019-12-20 | — | — | CN | disclosed |