Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5542914 | 0.77 | ESR2 (0.56) | ESR2NR1H2MAPTMAPK1USP2 | |
| SCHEMBL5187276 | 0.74 | NR1H2 (0.37) | ESR2NR1H2MAPTMAPK1USP2 | |
| SCHEMBL5187271 | 0.74 | NR1H2 (0.37) | ESR2NR1H2MAPTMAPK1USP2 | |
| SCHEMBL14971205 | 0.73 | NR1H2 (0.61) | ESR2NR1H2MAPTMAPK1NAMPT | |
| SCHEMBL7410794 | 0.73 | ESR2 (0.46) | ESR2NR1H2MAPTMAPK1USP2 | |
| SCHEMBL30408531 | 0.73 | ESR2 (0.62) | ESR2NR1H2MAPTMAPK1NAMPT | |
| SCHEMBL15825114 | 0.73 | ESR2 (0.52) | ESR2NR1H2MAPTMAPK1ADORA1 | |
| SCHEMBL31409404 | 0.73 | MAPT (0.48) | ESR2NR1H2MAPTMAPK1USP2 | |
| SCHEMBL8223979 | 0.73 | NR1H2 (0.55) | ESR2NR1H2MAPTMAPK1ADORA1 | |
| SCHEMBL29369046 | 0.73 | ESR2 (0.70) | ESR2NR1H2MAPTMAPK1NAMPT |
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-2022247770-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海璎黎药业有限公司 | 2022-12-01 | — | — | WO | disclosed |