Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23986122 | 0.75 | TRPA1 (0.57) | BACE1CNR2CNR1KDM4EMEN1 | |
| SCHEMBL278520 | 0.74 | TRPA1 (0.65) | CNR2CNR1KDM4EMEN1KMT2A | |
| SCHEMBL30046067 | 0.74 | TRPA1 (0.65) | CNR2CNR1KDM4EMEN1KMT2A | |
| SCHEMBL29763149 | 0.74 | TRPA1 (0.65) | CNR2CNR1KDM4EMEN1KMT2A | |
| SCHEMBL20415022 | 0.71 | MAPT (0.43) | KDM4EMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL2982854 | 0.70 | TTR (0.53) | BACE1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL31256667 | 0.70 | CA2 (0.59) | BACE1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL507053 | 0.70 | CA2 (0.59) | BACE1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL2025782 | 0.70 | S1PR1 (0.43) | PDE2APDE10AS1PR1S1PR2S1PR4 | |
| SCHEMBL4291205 | 0.70 | BACE1 (0.49) | BACE1CNR2CNR1KDM4EMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3326715-B1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | CE PHARM CO LTD (CN) | 2021-09-15 | — | — | EP | disclosed |
| 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 |