Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 7/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 7/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL20268998 | 0.86 | HCAR2 (0.38) | HCAR2HTR6JAK2JAK1TYK2 | |
| SCHEMBL2040684 | 0.86 | HCAR2 (0.38) | HCAR2HTR6JAK2JAK1TYK2 | |
| Hydrochloric Acid SCHEMBL20270451 | 0.84 | HCAR2 (0.37) | HCAR2HTR6JAK2JAK1TYK2 | |
| Hydrochloric Acid SCHEMBL20297398 | 0.84 | HCAR2 (0.37) | HCAR2HTR6JAK2JAK1TYK2 | |
| SCHEMBL2731895 | 0.81 | HTR6 (0.38) | HCAR2HTR6EPHX2JAK2JAK1 | |
| SCHEMBL16975378 | 0.76 | HCAR2 (0.36) | HCAR2EPHX2 | |
| SCHEMBL16364698 | 0.76 | HCAR2 (0.36) | HCAR2EPHX2 | |
| SCHEMBL28666857 | 0.76 | HCAR2 (0.36) | HCAR2EPHX2 | |
| Hydrochloric Acid SCHEMBL18426762 | 0.75 | HCAR2 (0.35) | HCAR2EPHX2 | |
| Hydrochloric Acid SCHEMBL21840086 | 0.75 | HCAR2 (0.35) | HCAR2EPHX2 |
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-106831720-B | The synthetic method and its application of double -4- (1H- pyrazol-1-yl) piperidines -1- t-butyl formates | 河北科技大学 | 2019-04-16 | — | — | CN | disclosed |