Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL22304474 | 1.00 | KDM4E (0.33) | KDM4EALDH1A1KIF18AMAOBHTR6 | |
| SCHEMBL22304481 | 0.88 | PDE10A (0.32) | KDM4EALDH1A1 | |
| SCHEMBL22304527 | 0.88 | CYP11B1 (0.38) | KDM4EALDH1A1KIF18AMAOBHTR6 | |
| SCHEMBL30080476 | 0.88 | CYP11B1 (0.38) | KDM4EALDH1A1KIF18AMAOBHTR6 | |
| SCHEMBL29100934 | 0.84 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL29100998 | 0.83 | KDM4E (0.35) | KDM4EALDH1A1 | |
| SCHEMBL30080598 | 0.83 | CXCR4 (0.32) | — | |
| SCHEMBL22304485 | 0.82 | CXCR4 (0.42) | KDM4EALDH1A1MAOBHTR6 | |
| SCHEMBL29995394 | 0.81 | ALDH1A1 (0.32) | KDM4EALDH1A1 | |
| SCHEMBL29100985 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1 |
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-112996783-B | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2022-11-18 | — | — | CN | disclosed |