Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 4/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24755009 | 1.00 | LIPE (0.35) | LIPEABCG2HDAC3HDAC1HDAC2 | |
| SCHEMBL24755070 | 0.82 | NQO2 (0.35) | MAPTLMNA | |
| SCHEMBL24755151 | 0.82 | HDAC3 (0.33) | LIPEHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL22931772 | 0.80 | LIPE (0.37) | LIPEABCG2NPC1MAPTCPB2 | |
| SCHEMBL29806156 | 0.80 | LIPE (0.37) | LIPEABCG2NPC1MAPTCPB2 | |
| SCHEMBL22931782 | 0.78 | RXRA (0.33) | HDAC3HDAC1HDAC2HDAC6MAPT | |
| SCHEMBL29806167 | 0.78 | RXRA (0.33) | HDAC3HDAC1HDAC2HDAC6MAPT | |
| SCHEMBL22931775 | 0.74 | RXRA (0.32) | LIPEHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL29420832 | 0.74 | RXRA (0.32) | LIPEHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL22931773 | 0.73 | LIPE (0.33) | LIPEABCG2HDAC1HDAC6MT-CO2 |
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-4003983-A1 | 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER | Basilea Pharmaceutica International AG (CH) | 2022-06-01 | — | — | EP | disclosed |