Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL6261542 | 0.91 | CA1 (0.43) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL28985023 | 0.86 | CA2 (0.42) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL28985045 | 0.85 | EPHX1 (0.41) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL28985280 | 0.84 | EPHX1 (0.43) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL28985042 | 0.82 | CA1 (0.41) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL16622189 | 0.80 | EPHX1 (0.55) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL1169288 | 0.80 | EPHX1 (0.64) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL10619817 | 0.80 | EPHX1 (0.64) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL6260502 | 0.79 | ALDH1A1 (0.42) | CA2CA1EPHX1STSALDH1A1 | |
| SCHEMBL30489951 | 0.79 | CA1 (0.48) | CA2CA1EPHX1STSALDH1A1 |
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-115974713-B | Fluorine-containing compound, preparation method and compound containing fluorine-containing compound | 中国科学技术大学 | 2024-10-01 | — | — | CN | disclosed |
| CN-115974713-A | Fluorine-containing compound, preparation method and compound containing fluorine-containing compound | 中国科学技术大学 | 2023-04-18 | — | — | CN | disclosed |