Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MMP14 | P50281 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25521799 | 0.85 | TOP2A (0.40) | NR1H2NR1H3PTGDR2PIK3CDKDM4E | |
| SCHEMBL25521547 | 0.84 | NR1H2 (0.46) | NR1H2NR1H3NR4A2PDE4DPTGDR2 | |
| SCHEMBL25521925 | 0.81 | NR1H2 (0.35) | NR1H2NR1H3PTGDR2KDM4ESMN1; SMN2 | |
| SCHEMBL25521916 | 0.76 | ERN1 (0.46) | MMP9AAK1 | |
| SCHEMBL25522060 | 0.76 | HSP90AA1 (0.34) | HSP90AA1 | |
| SCHEMBL4016535 | 0.73 | PIK3CD (0.61) | NR1H2NR1H3NR4A2PDE4DPTGDR2 | |
| SCHEMBL27809134 | 0.73 | NR4A2 (0.51) | NR1H2NR1H3NR4A2PDE4DPTGDR2 | |
| SCHEMBL27809136 | 0.73 | NR4A2 (0.51) | NR1H2NR1H3NR4A2PDE4DPTGDR2 | |
| SCHEMBL25521800 | 0.72 | AAK1 (0.47) | AAK1 | |
| SCHEMBL25523903 | 0.72 | KDM4E (0.40) | PIK3CDKDM4EALDH1A1LMNAMAPT |
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 |