Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MGAM | O43451 | 2/20 | 0.45 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.45 |
| ▸ | SI | P14410 | 2/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29197525 | 1.00 | GAA (0.45) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL3285085 | 0.77 | MAPT (0.42) | GAAMAPTALDH1A1LMNAHTT | |
| SCHEMBL3278603 | 0.77 | MGAM (0.47) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL27647530 | 0.76 | NSD2 (0.44) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL10348239 | 0.75 | GAA (0.42) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL29197542 | 0.73 | GAA (0.39) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL3279016 | 0.72 | MAPT (0.50) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL3285969 | 0.71 | MGAM (0.42) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL3279685 | 0.71 | MAPT (0.52) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL3280358 | 0.70 | TDP1 (0.43) | GAAMGAMAMY1ASIMGAM2 |
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-117940437-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2024-04-26 | — | — | CN | disclosed |