Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL25523958 | 0.85 | NR1H2 (0.46) | TOP2APIK3CDKDM4EPTGDR2NR1H2 | |
| SCHEMBL25521412 | 0.84 | PIK3CD (0.42) | TOP2APIK3CDKDM4EPTGDR2NR1H2 | |
| SCHEMBL25523903 | 0.82 | KDM4E (0.40) | PIK3CDKDM4ECOMTL3MBTL1MPI | |
| SCHEMBL25523953 | 0.79 | RPS6KA3 (0.33) | PIK3CDKDM4EL3MBTL1MPIKDR | |
| SCHEMBL25521800 | 0.78 | AAK1 (0.47) | AAK1 | |
| SCHEMBL25521916 | 0.76 | ERN1 (0.46) | AAK1KDR | |
| SCHEMBL25522060 | 0.76 | HSP90AA1 (0.34) | — | |
| SCHEMBL25521794 | 0.74 | KDM4E (0.39) | KDM4EL3MBTL1 | |
| SCHEMBL4013369 | 0.73 | PIK3CD (0.65) | TOP2APIK3CDKDM4EPTGDR2NR1H2 | |
| SCHEMBL25523901 | 0.73 | ERN1 (0.37) | KDM4ECOMTAAK1MAPTMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |