Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | MPL | P40238 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | WEE1 | P30291 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.30 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.30 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.30 |
| ▸ | NHERF1 | O14745 | 2/20 | 0.30 |
| ▸ | PYGL | P06737 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16571408 | 0.86 | IKBKB (0.40) | IKBKBCHUKPARP1CCNCCDK8 | |
| SCHEMBL19478363 | 0.76 | SCN9A (0.41) | IKBKBCHUKPARP1CCNCCDK8 | |
| SCHEMBL16571180 | 0.75 | SLC22A12 (0.42) | PARP1CCNCCDK8CHEK2 | |
| SCHEMBL19478158 | 0.75 | GRM2 (0.45) | CCNCCDK8CHEK2 | |
| SCHEMBL16571634 | 0.74 | SLC22A12 (0.38) | CHEK1NHERF1PYGL | |
| SCHEMBL16571716 | 0.72 | MAP2 (0.43) | IKBKBCHUKPARP1CCNCCDK8 | |
| SCHEMBL16571739 | 0.72 | XDH (0.40) | PARP1CHEK2 | |
| SCHEMBL16571396 | 0.72 | ALDH1A1 (0.42) | PARP1PRKAG1PRKAA1PRKAB1CHEK2 | |
| SCHEMBL19478335 | 0.72 | SLC22A12 (0.38) | IKBKBCHUKPARP1CCNCCDK8 | |
| SCHEMBL19478336 | 0.72 | GRM2 (0.38) | IKBKBPARP1CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3044207-B1 | INDOL-CARBOXAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-10-18 | — | — | EP | disclosed |