Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 4/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076873 | 0.89 | BTK (0.40) | QDPRSCD5RETAOC3USP30 | |
| SCHEMBL29025864 | 0.86 | RET (0.46) | RET | |
| SCHEMBL22076961 | 0.79 | QDPR (0.38) | QDPRRET | |
| SCHEMBL30126772 | 0.78 | PDE4B (0.44) | RETUSP30 | |
| SCHEMBL30127474 | 0.78 | PDE4B (0.44) | RETUSP30 | |
| SCHEMBL30126023 | 0.78 | PDE4B (0.44) | RETUSP30 | |
| SCHEMBL2474849 | 0.76 | USP30 (0.54) | QDPRSCD5USP30FASN | |
| SCHEMBL29025846 | 0.75 | GFER (0.42) | — | |
| SCHEMBL29025850 | 0.75 | GFER (0.42) | — | |
| SCHEMBL29025848 | 0.74 | QDPR (0.41) | QDPR |
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 2 patents. 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 |
| CN-109422755-A | A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2019-03-05 | — | — | CN | disclosed |