Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | USP10 | Q14694 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1364828 | 0.82 | USP10 (0.54) | ALDH1A1L3MBTL1MAPK1USP10SLC6A3 | |
| SCHEMBL13982727 | 0.78 | MAPT (0.60) | ALDH1A1KDM4EHPGDMAPK1TSHR | |
| SCHEMBL27636819 | 0.75 | SLC6A3 (0.59) | ALDH1A1BRAFSLC6A3SLC6A4SLC6A2 | |
| SCHEMBL195311 | 0.74 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDMAPK1GAA | |
| SCHEMBL6405571 | 0.74 | VCAM1 (0.54) | ALDH1A1HPGDGAABRAFNPSR1 | |
| SCHEMBL21436430 | 0.74 | USP10 (0.65) | ALDH1A1KDM4EHPGDMAPK1TSHR | |
| SCHEMBL27649932 | 0.74 | SLC6A3 (0.57) | ALDH1A1KDM4EMAPK1BRAFSLC6A3 | |
| SCHEMBL31330024 | 0.73 | BRAF (0.46) | ALDH1A1KDM4EHPGDL3MBTL1MAPK1 | |
| SCHEMBL426359 | 0.73 | USP10 (0.51) | ALDH1A1KDM4EHPGDL3MBTL1MAPK1 | |
| SCHEMBL3231061 | 0.73 | USP10 (0.48) | ALDH1A1HPGDTSHRHSD17B10USP10 |
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-2024255697-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2024-12-19 | — | — | WO | disclosed |