Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.30 |
| ▸ | GRN | P28799 | 1/20 | 0.30 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985537 | 0.86 | KDM4E (0.40) | ALDH1A1KDM4EPDK1GLACD274 | |
| SCHEMBL28134274 | 0.77 | KDM4E (0.45) | ALDH1A1KDM4EPDK1MEN1KMT2A | |
| SCHEMBL4192102 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KDM4EPDK1GLAMEN1 | |
| SCHEMBL4634683 | 0.73 | KDM4E (0.45) | ALDH1A1KDM4EPDK1DRD3SLC18A3 | |
| SCHEMBL12331468 | 0.73 | KDM4E (0.45) | ALDH1A1KDM4EPDK1KMT2ADRD3 | |
| SCHEMBL6043875 | 0.73 | KDM1A (0.47) | ALDH1A1KDM4EPDK1DRD3SLC18A3 | |
| SCHEMBL14940771 | 0.73 | KDM4E (0.41) | ALDH1A1KDM4EDRD3SLC18A3MAPK1 | |
| SCHEMBL14940773 | 0.73 | KDM4E (0.41) | ALDH1A1KDM4EDRD3SLC18A3MAPK1 | |
| SCHEMBL13337770 | 0.72 | KDM4E (0.44) | ALDH1A1KDM4EPDK1DRD3SLC18A3 | |
| SCHEMBL4190132 | 0.71 | GLA (0.41) | ALDH1A1KDM4EPDK1GLAMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107709320-A | A kind of pyrido nitrogen heterocyclic and its production and use | 中国科学院上海药物研究所 | 2018-02-16 | — | — | CN | disclosed |