Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17997748 | 0.82 | ALDH1A1 (0.50) | ALDH1A1GAAHPGDGPR35MAPT | |
| SCHEMBL18415443 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HPGDGPR35MAPTTDP1 | |
| SCHEMBL3597390 | 0.81 | SMN1; SMN2 (0.51) | ALDH1A1GAAHPGDGPR35MAPT | |
| SCHEMBL6455411 | 0.78 | ALDH1A1 (0.57) | ALDH1A1GAAHPGDMAPTL3MBTL1 | |
| SCHEMBL18600162 | 0.78 | HTT (0.51) | ALDH1A1GPR35MAPTTDP1MAPK1 | |
| SCHEMBL3614658 | 0.76 | L3MBTL1 (0.55) | ALDH1A1HPGDMAPTTDP1MAPK1 | |
| SCHEMBL11650801 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HPGDGPR35MAPTTDP1 | |
| SCHEMBL10499633 | 0.75 | TDP1 (0.47) | ALDH1A1GPR35MAPTTDP1MAPK1 | |
| SCHEMBL16634566 | 0.75 | TGM2 (0.48) | ALDH1A1GAAHPGDGPR35MAPT | |
| SCHEMBL11878107 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GPR35MAPTTDP1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3326715-A1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2018-05-30 | — | — | EP | disclosed |