Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28600443 | 0.94 | APP (0.44) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28583887 | 0.92 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28581546 | 0.92 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28577531 | 0.92 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28577550 | 0.92 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28584050 | 0.92 | APP (0.42) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16439860 | 0.86 | APP (0.50) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL562862 | 0.77 | APP (0.55) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7413841 | 0.75 | APP (0.52) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9794436 | 0.71 | MAPT (0.50) | APPMAPTNR1H2NPC1ALDH1A1 |
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-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 |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |