Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3472829 | 0.78 | ALDH1A1 (0.55) | SMN1; SMN2KMT2AMEN1GAAGSK3A | |
| SCHEMBL28744551 | 0.74 | GSK3A (0.46) | GAAGSK3AGSK3BRAD51 | |
| SCHEMBL16320738 | 0.73 | KMT2A (0.49) | SMN1; SMN2KMT2AMEN1GAATSHR | |
| SCHEMBL30998819 | 0.72 | KMT2A (0.44) | SMN1; SMN2KMT2AMEN1GAATSHR | |
| SCHEMBL11083823 | 0.72 | GSK3A (0.54) | GAAGSK3AGSK3BMAPTATM | |
| SCHEMBL30998822 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2KMT2AMEN1RAB9ATSHR | |
| SCHEMBL17537378 | 0.69 | GSK3A (0.59) | GSK3AGSK3BTSHRRAD51 | |
| SCHEMBL23119668 | 0.69 | HSP90AA1 (0.63) | KMT2AMEN1TSHRHSP90AA1MAPT | |
| SCHEMBL6820026 | 0.69 | FAAH (0.44) | SMN1; SMN2KMT2AMEN1GAATSHR | |
| SCHEMBL11781513 | 0.69 | ALDH1A1 (0.56) | SMN1; SMN2KMT2AMEN1MAPTCYP1A2 |
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 |