Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 10/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9359788 | 0.88 | NLRP3 (0.78) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL7256931 | 0.86 | NLRP3 (0.50) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL1024873 | 0.82 | NLRP3 (0.65) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL20713792 | 0.81 | NLRP3 (0.68) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL13743769 | 0.80 | MAPT (0.53) | NLRP3MAPK1POLBLMNAALDH1A1 | |
| SCHEMBL27570537 | 0.79 | NLRP3 (0.61) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL3577461 | 0.79 | LCK (0.51) | NLRP3MAPK1ALDH1A1HSD17B10 | |
| SCHEMBL1095326 | 0.79 | NLRP3 (0.61) | NLRP3MAPK1KDM4EGLAPOLB | |
| SCHEMBL11591050 | 0.79 | DRD2 (0.54) | POLBLMNAALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL13971319 | 0.78 | NLRP3 (0.52) | NLRP3POLBALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |