Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28600443 | 0.75 | APP (0.44) | NR1H2ALDH1A1TSHRKCNH2CA1 | |
| SCHEMBL28577531 | 0.73 | APP (0.42) | NR1H2ALDH1A1TSHRKCNH2 | |
| SCHEMBL28584050 | 0.73 | APP (0.42) | NR1H2ALDH1A1TSHRKCNH2 | |
| SCHEMBL28583887 | 0.73 | APP (0.42) | NR1H2ALDH1A1TSHRKCNH2 | |
| SCHEMBL28581546 | 0.73 | APP (0.42) | NR1H2ALDH1A1TSHRKCNH2 | |
| SCHEMBL28577550 | 0.73 | APP (0.42) | NR1H2ALDH1A1TSHRKCNH2 | |
| SCHEMBL3218234 | 0.70 | SLC6A2 (0.41) | FFAR1FFAR4KCNH2CALM1 | |
| SCHEMBL3888886 | 0.70 | CALM1 (0.50) | FFAR1FFAR4ALDH1A1TRPA1TSHR | |
| SCHEMBL28760837 | 0.68 | CYP1A2 (0.39) | NR1H2FFAR1FFAR4ALDH1A1KCNH2 | |
| SCHEMBL28579920 | 0.68 | APP (0.46) | NR1H2ALDH1A1TSHRKCNH2CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | claimed |
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | disclosed |