Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 13/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26590829 | 0.98 | NLRP3 (0.45) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL19505705 | 0.95 | NLRP3 (0.46) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL20692248 | 0.91 | NLRP3 (0.44) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL22282336 | 0.85 | NLRP3 (0.33) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL22011174 | 0.77 | NLRP3 (0.44) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL22282131 | 0.76 | NLRP3 (0.40) | NLRP3ATMSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL22282153 | 0.76 | NLRP3 (0.34) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL22013010 | 0.76 | NLRP3 (0.43) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL20194506 | 0.74 | NLRP3 (0.53) | NLRP3ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL19506009 | 0.74 | NLRP3 (0.44) | NLRP3ATMSMN1; SMN2ALDH1A1 |
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 |
| WO-2017177979-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | 中国科学院上海有机化学研究所 | 2017-10-19 | — | — | WO | disclosed |