Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.63 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.54 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5413537 | 0.96 | PARP1 (0.68) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL778980 | 0.91 | PARP1 (0.58) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL17068124 | 0.91 | PARP1 (0.58) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL38665073 | 0.91 | PARP1 (0.58) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL19959259 | 0.91 | PARP1 (0.58) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL4828910 | 0.91 | PARP1 (0.58) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL22034173 | 0.90 | PARP1 (0.57) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL4822660 | 0.90 | PARP1 (0.57) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL30729635 | 0.90 | PARP1 (0.57) | PARP1ABHD6DAGLAPDK1PDK2 | |
| SCHEMBL29088850 | 0.90 | PARP1 (0.57) | PARP1ABHD6DAGLAPDK1PDK2 |
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-2019238629-A1 | PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |