Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18415515 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL18415478 | 0.83 | MAPT (0.48) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL23808917 | 0.79 | HSD17B10 (0.51) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL12303215 | 0.78 | CA12 (0.56) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL6492578 | 0.78 | CA12 (0.56) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL14143757 | 0.75 | SLC7A5 (0.62) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL16951417 | 0.74 | CA12 (0.47) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL2605591 | 0.73 | CA1 (0.60) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL10091823 | 0.72 | KDM4E (0.53) | ALDH1A1KDM4ELMNACA12CA1 | |
| SCHEMBL4512198 | 0.72 | CA1 (0.54) | ALDH1A1KDM4ELMNACA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3326715-A1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2018-05-30 | — | — | EP | disclosed |