Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 2/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29116912 | 0.89 | GAA (0.35) | ALDH1A1KDM4ECFTRHSD17B10HPGD | |
| SCHEMBL29116962 | 0.82 | KDM4E (0.30) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL29116937 | 0.79 | PARP1 (0.50) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL24074379 | 0.69 | PARP1 (0.40) | ALDH1A1KDM4ECFTRHSD17B10HPGD | |
| SCHEMBL25319481 | 0.69 | KDM4E (0.35) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL29116903 | 0.68 | SLC6A3 (0.33) | GAAALOX15MAPK1TSHRKMT2A | |
| SCHEMBL4226281 | 0.68 | PRKAB2 (0.45) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL19456404 | 0.67 | PARP1 (0.34) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL30786846 | 0.67 | PARP1 (0.48) | ALDH1A1KDM4EGAAALOX15MAPK1 | |
| SCHEMBL29116927 | 0.67 | PARP1 (0.48) | ALDH1A1KDM4EGAAALOX15MAPK1 |
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-116969971-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 | 2023-10-31 | — | — | CN | disclosed |