Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29588072 | 0.81 | IDH1 (0.32) | IDH1 | |
| SCHEMBL29666965 | 0.81 | OGA (0.40) | PFKFB3 | |
| SCHEMBL24469473 | 0.68 | PRKCI (0.34) | — | |
| SCHEMBL30599760 | 0.67 | XDH (0.32) | IDH1 | |
| SCHEMBL26344146 | 0.67 | IDH1 (0.34) | IDH1 | |
| SCHEMBL31207897 | 0.67 | IDH1 (0.34) | IDH1 | |
| SCHEMBL24469635 | 0.67 | XDH (0.32) | IDH1 | |
| SCHEMBL30459380 | 0.67 | IDH1 (0.34) | IDH1 | |
| SCHEMBL24469648 | 0.66 | PDE2A (0.37) | — | |
| SCHEMBL28254350 | 0.66 | ATP1A1 (0.45) | PFKFB3 |
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-2022111498-A1 | PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |