Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.63 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KAT7 | O95251 | 1/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.44 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL30440068 | 1.00 | PARP1 (0.63) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL38665073 | 0.96 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL19959259 | 0.96 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20139814 | 0.94 | PARP1 (0.59) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20139812 | 0.94 | PARP1 (0.59) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL23366073 | 0.94 | PARP1 (0.59) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8121116 | 0.91 | PARP1 (0.61) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20129602 | 0.91 | PARP1 (0.63) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6334954 | 0.91 | PARP1 (0.63) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL2420439 | 0.91 | PARP1 (0.63) | PARP1PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |