Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL16321199 | 0.89 | SMN1; SMN2 (0.63) | SMN1; SMN2HTTCYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL16321200 | 0.89 | SMN1; SMN2 (0.63) | SMN1; SMN2HTTCYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL16322793 | 0.87 | SMN1; SMN2 (0.71) | SMN1; SMN2HTTCYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL16322795 | 0.87 | SMN1; SMN2 (0.71) | SMN1; SMN2HTTCYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL30998786 | 0.85 | SMN1; SMN2 (0.45) | SMN1; SMN2HTTCYP3A4CYP2B6 | |
| SCHEMBL16356128 | 0.85 | SMN1; SMN2 (0.58) | SMN1; SMN2HTTCYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL16322520 | 0.84 | SMN1; SMN2 (0.63) | SMN1; SMN2HTTCYP3A4CYP2B6MEN1 | |
| SCHEMBL16322521 | 0.84 | SMN1; SMN2 (0.63) | SMN1; SMN2HTTCYP3A4CYP2B6MEN1 | |
| SCHEMBL16321210 | 0.81 | SMN1; SMN2 (0.62) | SMN1; SMN2HTTCYP3A4CYP2B6MEN1 | |
| SCHEMBL16321211 | 0.81 | SMN1; SMN2 (0.62) | SMN1; SMN2HTTCYP3A4CYP2B6MEN1 |
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-118373777-A | Pyrimidine diketone derivative and preparation method and application thereof | 河北科技大学 | 2024-07-23 | — | — | CN | disclosed |