Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644058 | 1.00 | ALPL (0.50) | ALPLCA12CA1CA2CA9 | |
| SCHEMBL1477759 | 0.82 | PGR (0.59) | ALPLSMN1; SMN2LMNAHPGDCDK8 | |
| SCHEMBL12424251 | 0.78 | SLC22A12 (0.51) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL23832346 | 0.78 | KDM4E (0.47) | CA12CA1CA2CA9PIK3CB | |
| SCHEMBL30088423 | 0.78 | KDM4E (0.47) | CA12CA1CA2CA9PIK3CB | |
| SCHEMBL1628255 | 0.77 | KIF11 (0.52) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL11081744 | 0.77 | EDNRA (0.49) | CA12CA1CA2CA9PIK3CB | |
| SCHEMBL13548255 | 0.77 | HPGD (0.46) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL23832378 | 0.77 | GAA (0.48) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL1530195 | 0.77 | SMN1; SMN2 (0.46) | CA12CA1CA2CA9PIK3CB |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |