Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | LPL | P06858 | 13/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 13/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14214367 | 0.89 | CYP2A6 (0.45) | CYP2A6LPLLIPGP4HBCA1 | |
| SCHEMBL3190570 | 0.79 | CYP2A6 (0.46) | CYP2A6LPLLIPGCA1CA2 | |
| SCHEMBL2098959 | 0.77 | CA9 (0.50) | LPLLIPGCA1CA2CA9 | |
| SCHEMBL13830366 | 0.76 | PIN1 (0.54) | LPLLIPGP4HB | |
| SCHEMBL16567346 | 0.76 | LPL (0.42) | LPLLIPGP4HBCA1CA2 | |
| SCHEMBL29134754 | 0.75 | MMP2 (0.40) | LPLLIPGP4HBCA1CA2 | |
| SCHEMBL17206080 | 0.74 | LIPG (0.55) | LPLLIPGP4HB | |
| SCHEMBL743909 | 0.74 | LPL (0.40) | LPLLIPGF11 | |
| SCHEMBL2735974 | 0.73 | XDH (0.50) | — | |
| SCHEMBL20539098 | 0.73 | LPL (0.49) | CYP2A6LPLLIPGP4HBCA1 |
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-104350055-B | Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator | 新加坡科技研究局 | 2019-05-31 | — | — | CN | disclosed |