Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTK6 | Q13882 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.38 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30275144 | 1.00 | KDM4E (0.43) | KDM4EALDH1A1L3MBTL1PTK6GAA | |
| SCHEMBL30275170 | 1.00 | KDM4E (0.43) | KDM4EALDH1A1L3MBTL1PTK6GAA | |
| Cyanide SCHEMBL22130260 | 0.77 | GAA (0.41) | KDM4EALDH1A1PTK6GAAPKM | |
| SCHEMBL29519732 | 0.76 | KIF11 (0.48) | KDM4EALDH1A1GAAPKMMAPT | |
| SCHEMBL1418732 | 0.76 | KIF11 (0.48) | KDM4EALDH1A1GAAPKMMAPT | |
| SCHEMBL20493605 | 0.75 | GAA (0.44) | KDM4EALDH1A1GAAPKMMAPT | |
| SCHEMBL20564646 | 0.73 | NOS1 (0.51) | KDM4EALDH1A1L3MBTL1GAAMAPT | |
| SCHEMBL26977516 | 0.70 | LMNA (0.47) | KDM4EALDH1A1L3MBTL1GAAPKM | |
| SCHEMBL12417111 | 0.70 | MAPT (0.56) | KDM4EALDH1A1PTK6MAPTKMT2A | |
| SCHEMBL10139187 | 0.68 | PTK6 (0.49) | KDM4EALDH1A1PTK6GAAPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115703768-A | Compounds useful as inhibitors of ATR kinase | 苏州爱科百发生物医药技术有限公司 | 2023-02-17 | — | — | CN | disclosed |
| WO-2023016525-A1 | COMPOUND AS ATR KINASE INHIBITOR | 苏州爱科百发生物医药技术有限公司 | 2023-02-16 | — | — | WO | disclosed |