Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30412340 | 0.91 | ALDH1A1 (0.40) | SMN1; SMN2MAPTIKBKBKDM4EALDH1A1 | |
| SCHEMBL30411703 | 0.89 | PIN1 (0.36) | HTTSMN1; SMN2MAPTIKBKBGRM2 | |
| SCHEMBL29994547 | 0.89 | SLC1A1 (0.39) | IKBKBALOX5PIN1 | |
| SCHEMBL29994296 | 0.84 | ALDH1A1 (0.37) | SMN1; SMN2MAPTIKBKBLMNAKDM4E | |
| SCHEMBL30412565 | 0.79 | IKBKB (0.40) | HTTMAPTIKBKBLMNAPOLB | |
| SCHEMBL29994393 | 0.74 | BACE1 (0.41) | SMN1; SMN2IKBKBLMNAALOX5KDM4E | |
| SCHEMBL30412369 | 0.72 | ALDH1A1 (0.40) | SMN1; SMN2MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL28172319 | 0.70 | IKBKB (0.49) | SMN1; SMN2MAPTIKBKBSTAT3KDM4E | |
| SCHEMBL4945097 | 0.70 | HTT (0.42) | HTTSMN1; SMN2MAPTIKBKBGRM2 | |
| SCHEMBL31674405 | 0.68 | IKBKB (0.53) | SMN1; SMN2MAPTIKBKBGRM2POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4098258-A1 | PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | claimed |
| CN-113197895-B | Pharmaceutical application of ketoamide compound | 中国科学院上海药物研究所 | 2023-06-20 | — | — | CN | disclosed |
| EP-4098258-A1 | PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | disclosed |