Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30723308 | 0.94 | GAA (0.39) | ALDH1A1GAAHRH3KDM4EKCNH2 | |
| SCHEMBL30723310 | 0.91 | RAB9A (0.40) | ALDH1A1GAAHRH3RAB9ANPC1 | |
| SCHEMBL30723304 | 0.90 | RXFP1 (0.39) | ALDH1A1GAAHRH3KDM4ERAB9A | |
| SCHEMBL30723306 | 0.89 | RAB9A (0.36) | ALDH1A1GAAHRH3KDM4ERAB9A | |
| SCHEMBL30723334 | 0.87 | BCHE (0.39) | ALDH1A1RAB9ANPC1LMNAHTR7 | |
| SCHEMBL30723318 | 0.87 | KMT2A (0.43) | ALDH1A1GAAHRH3KDM4ERAB9A | |
| SCHEMBL30723300 | 0.85 | HTR7 (0.37) | ALDH1A1RAB9ANPC1NPSR1HTR7 | |
| SCHEMBL30723312 | 0.85 | SMN1; SMN2 (0.39) | HRH3RAB9ANPC1LMNAHTR7 | |
| SCHEMBL30723328 | 0.85 | HRH3 (0.38) | GAAHRH3DRD2HTR2AKCNH2 | |
| SCHEMBL30723326 | 0.84 | BCHE (0.37) | HRH3KDM4ERAB9ANPC1KCNH2 |
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-117486887-A | Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof | 昆明学院 | 2024-02-02 | — | — | CN | disclosed |