Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 2/20 | 0.57 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | LSS | P48449 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24575984 | 0.85 | MTOR (0.69) | MTORNAMPTLSSOPRM1OPRL1 | |
| SCHEMBL12375168 | 0.82 | MAPK1 (0.70) | TSHRMAPK1ALDH1A1MEN1GAA | |
| SCHEMBL12757446 | 0.81 | ERCC1 (0.55) | MTORNAMPTLSSEPHX2PPARG | |
| SCHEMBL21202238 | 0.79 | TGM2 (0.51) | TSHRMAPK1ALDH1A1MEN1GAA | |
| SCHEMBL24568690 | 0.79 | NAMPT (0.66) | NAMPTMAPK1ALDH1A1 | |
| SCHEMBL12375169 | 0.79 | TSHR (0.70) | LSSEPHX2TSHRALDH1A1MEN1 | |
| SCHEMBL12252067 | 0.78 | MAPT (0.69) | ALDH1A1MEN1KMT2AANPEP | |
| SCHEMBL2629356 | 0.78 | LSS (0.59) | MTORNAMPTLSSEPHX2PPARG | |
| SCHEMBL22522168 | 0.78 | LSS (0.52) | MTORNAMPTLSSEPHX2PPARG | |
| SCHEMBL3879096 | 0.78 | PPARA (0.56) | MTORNAMPTLSSEPHX2PPARG |
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-4185296-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | Merck Sharp & Dohme LLC (US) | 2023-05-31 | — | — | EP | disclosed |