Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | KYAT1 | Q16773 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28351437 | 0.89 | GAA (0.59) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL16353331 | 0.88 | KYAT1 (0.48) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL393794 | 0.87 | GAA (0.58) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL28183775 | 0.86 | MAPT (0.52) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL6786787 | 0.84 | GAA (0.60) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL6786789 | 0.84 | GAA (0.60) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL14668519 | 0.84 | GAA (0.60) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL23348046 | 0.82 | GAA (0.58) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL7484968 | 0.80 | GAA (0.55) | GAALMNANPSR1ALDH1A1HPGD | |
| SCHEMBL7050416 | 0.80 | GAA (0.55) | GAALMNANPSR1ALDH1A1HPGD |
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-106810549-B | 7- azaindoles and its application containing dihydrogen dazin structure | 江西科技师范大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-107253964-A | The preparation and application of the thienopyrimidines of the structure containing heteroaryl amide | 江西科技师范大学 | 2017-10-17 | — | — | CN | disclosed |
| CN-106810549-A | Contain 7 azaindoles of dihydrogen dazin structure and its application | 江西科技师范大学 | 2017-06-09 | — | — | CN | disclosed |