Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.43 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27093000 | 1.00 | MAPK1 (0.46) | MAPK1IRAK4HDAC3HDAC1HDAC2 | |
| SCHEMBL4404049 | 0.90 | CA1 (0.45) | IRAK4CISD1CA12CA1CA2 | |
| SCHEMBL31436651 | 0.90 | CA1 (0.45) | IRAK4CISD1CA12CA1CA2 | |
| SCHEMBL2182279 | 0.88 | KCNH2 (0.48) | MAPK1IRAK4HDAC3HDAC1HDAC2 | |
| SCHEMBL21949044 | 0.87 | CA1 (0.52) | IRAK4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30883513 | 0.87 | CA1 (0.52) | IRAK4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL21949096 | 0.86 | CA1 (0.54) | IRAK4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL16873023 | 0.86 | IRAK4 (0.40) | IRAK4CISD1CA12CA1CA2 | |
| SCHEMBL21724991 | 0.86 | IRAK4 (0.47) | MAPK1IRAK4HDAC3HDAC1HDAC2 | |
| SCHEMBL30201761 | 0.86 | OPRK1 (0.46) | MAPK1IRAK4HDAC3HDAC1HDAC2 |
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-117940426-A | DNA-dependent protein kinase inhibitors, compositions and uses thereof | 英特利亚治疗股份有限公司 | 2024-04-26 | — | — | CN | disclosed |