Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 2/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1813765 | 0.78 | CYP1A2 (0.42) | HSD11B1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL29502459 | 0.78 | CYP1A2 (0.42) | HSD11B1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL28291723 | 0.77 | LMNA (0.50) | HSD11B1CYP1A2POLBHSD17B10GAA | |
| SCHEMBL23364938 | 0.77 | HTR7 (0.33) | ALDH1A1HPGD | |
| SCHEMBL23364941 | 0.77 | HTR7 (0.33) | ALDH1A1HPGD | |
| SCHEMBL29828640 | 0.77 | HTR7 (0.33) | ALDH1A1HPGD | |
| SCHEMBL4540451 | 0.76 | CYP1A2 (0.41) | HSD11B1CYP1A2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL28291728 | 0.75 | NPSR1 (0.41) | HSD11B1CYP1A2POLBGAASMN1; SMN2 | |
| SCHEMBL29987624 | 0.74 | CYP1A2 (0.41) | CYP1A2POLBHSD17B10SMN1; SMN2MAPT | |
| SCHEMBL3211508 | 0.74 | CYP1A2 (0.41) | CYP1A2POLBHSD17B10SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109608390-B | Synthesis method of chiral quaternary carbon pyridine beta-hydroxy ester compound | 温州大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-109608390-A | A kind of synthetic method of chirality quaternary carbon pyridines β hydroxyl esters compound | 温州大学 | 2019-04-12 | — | — | CN | disclosed |