Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDA | P32320 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.31 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL22151854 | 0.88 | IRAK4 (0.45) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL6896207 | 0.85 | KMT2A (0.46) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL897372 | 0.85 | KMT2A (0.50) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL13640035 | 0.83 | CDA (0.45) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL12309944 | 0.83 | KMT2A (0.49) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1903050 | 0.81 | CDA (0.44) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL23466508 | 0.80 | CDA (0.47) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL13931124 | 0.80 | PDE7A (0.46) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL992921 | 0.80 | IRAK4 (0.41) | CDAKMT2AIRAK4KDM4EALDH1A1 | |
| SCHEMBL14441585 | 0.80 | IRAK4 (0.44) | CDAKMT2AIRAK4KDM4EALDH1A1 |
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-112920199-B | Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition | 四川大学 | 2023-02-03 | — | — | CN | disclosed |