Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 5/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25489056 | 0.90 | HDAC1 (0.39) | PPARGPPARAALDH1A1HDAC1HDAC3 | |
| SCHEMBL3113320 | 0.82 | PPARG (0.49) | PPARGPPARAALDH1A1MTNR1AMTNR1B | |
| SCHEMBL16992104 | 0.81 | HDAC3 (0.50) | PPARGPPARAALDH1A1HDAC1HDAC3 | |
| SCHEMBL16991900 | 0.79 | L3MBTL1 (0.47) | PPARGPPARAHDAC1HDAC3HDAC2 | |
| SCHEMBL13984783 | 0.78 | HDAC1 (0.49) | ALDH1A1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL13166745 | 0.77 | HDAC1 (0.45) | ALDH1A1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1800104 | 0.76 | HDAC1 (0.44) | PPARAHDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL3567836 | 0.75 | RIPK1 (0.46) | HDAC1HDAC3HDAC2NCOR2L3MBTL1 | |
| SCHEMBL19784426 | 0.75 | ADRB2 (0.47) | PPARGPPARA | |
| SCHEMBL3014216 | 0.75 | HDAC1 (0.47) | ALDH1A1HDAC1HDAC3HDAC2NCOR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996927-A | Pyrimido [5,4-d ] pyrimidine derivatives and combinations with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer | ITEOS比利时公司 | 2023-04-21 | — | — | CN | disclosed |