Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30601289 | 0.86 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1GAAKDM4EHSD17B10 | |
| SCHEMBL30601229 | 0.85 | HPGD (0.43) | ALDH1A1KDM4EHSD17B10LMNAHPGD | |
| SCHEMBL30601276 | 0.85 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1GAAKDM4EHSD17B10 | |
| SCHEMBL30601291 | 0.83 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1GAANLRP3KDM4E | |
| SCHEMBL1536687 | 0.82 | SMN1; SMN2 (0.51) | ALDH1A1L3MBTL1GAAKDM4ELMNA | |
| SCHEMBL30601234 | 0.82 | CD38 (0.41) | ALDH1A1L3MBTL1GAAHSD17B10LMNA | |
| SCHEMBL30601243 | 0.82 | CD38 (0.41) | ALDH1A1L3MBTL1GAAHSD17B10LMNA | |
| SCHEMBL1536744 | 0.81 | MAPT (0.53) | ALDH1A1L3MBTL1GAAKDM4ELMNA | |
| SCHEMBL30601271 | 0.79 | ASPH (0.44) | ALDH1A1GAAKDM4ELMNATSHR | |
| SCHEMBL1536721 | 0.77 | PKM (0.54) | ALDH1A1KDM4EHSD17B10LMNAHPGD |
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-116514816-A | Pyrimidinone pyrrole derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-08-01 | — | — | CN | disclosed |