Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 12/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28453670 | 0.83 | IKBKB (0.36) | IKBKBRAF1MAPK14 | |
| SCHEMBL3610995 | 0.81 | LCK (0.41) | IKBKBRXFP1 | |
| SCHEMBL14343926 | 0.78 | IKBKB (0.39) | IKBKBIRAK4RXFP1 | |
| SCHEMBL6192110 | 0.76 | LCK (0.38) | IKBKBRXFP1 | |
| SCHEMBL490588 | 0.76 | IKBKB (0.57) | IKBKB | |
| SCHEMBL20572261 | 0.75 | IKBKB (0.47) | IKBKBKDM4E | |
| SCHEMBL28453667 | 0.73 | IKBKB (0.34) | IKBKBIRAK4 | |
| SCHEMBL28453668 | 0.73 | IKBKB (0.34) | IKBKBIRAK4 | |
| SCHEMBL28449106 | 0.73 | IKBKB (0.38) | IKBKBALDH1A1 | |
| SCHEMBL28449109 | 0.73 | IKBKB (0.38) | IKBKBALDH1A1 |
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-112409373-A | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110381950-B | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2020-09-04 | — | — | CN | disclosed |