Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 16/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL29025880 | 1.00 | NOTUM (0.45) | NOTUMKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL30478648 | 0.87 | NR1H2 (0.40) | NOTUMKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL29025836 | 0.85 | PPARA (0.36) | ALDH1A1 | |
| SCHEMBL29025838 | 0.85 | PPARA (0.36) | ALDH1A1 | |
| SCHEMBL22076905 | 0.84 | DPP4 (0.38) | ALDH1A1 | |
| SCHEMBL22076903 | 0.84 | DPP4 (0.38) | ALDH1A1 | |
| SCHEMBL30478720 | 0.81 | JAK3 (0.41) | — | |
| SCHEMBL29025830 | 0.81 | JAK3 (0.41) | — | |
| SCHEMBL29025831 | 0.81 | JAK3 (0.41) | — | |
| SCHEMBL20605512 | 0.77 | TBK1 (0.35) | KDM4EALDH1A1JAK2 |
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-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |