Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 3/20 | 0.50 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ASPH | Q12797 | 1/20 | 0.41 |
| ▸ | RIOX2 | Q8IUF8 | 1/20 | 0.41 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28248503 | 0.84 | FFAR1 (0.51) | VNN1FFAR1HDAC6HDAC1HDAC8 | |
| SCHEMBL6695026 | 0.80 | HDAC1 (0.55) | VNN1PPARAFFAR1HDAC6HDAC1 | |
| SCHEMBL6691557 | 0.80 | FFAR1 (0.54) | PPARAFFAR1HDAC6HDAC1ADRA2A | |
| SCHEMBL28249055 | 0.79 | MAPT (0.51) | FFAR1KDM4E | |
| SCHEMBL7345712 | 0.77 | FFAR1 (0.68) | PPARAFFAR1ADRA2ACACNA1B | |
| Hydrochloric Acid SCHEMBL1854332 | 0.76 | KIF11 (0.59) | VNN1HDAC6KIF11CACNA1BEPHX2 | |
| SCHEMBL28248607 | 0.75 | MAPT (0.55) | VNN1FFAR1CACNA1BKDM4E | |
| SCHEMBL11936090 | 0.73 | FFAR1 (0.59) | FFAR1KIF11CACNA1BEGFR | |
| SCHEMBL5544782 | 0.73 | FFAR1 (0.55) | PPARAFFAR1HDAC6HDAC1ADRA2A | |
| SCHEMBL6692355 | 0.73 | ADRA2A (0.49) | PPARAFFAR1ADRA2ACACNA1BEPHX2 |
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-106431989-B | The aminated compounds and its preparation method and application of N- halogenated aryls substitution | 云南大学 | 2018-10-16 | — | — | CN | disclosed |