Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.34 |
| ▸ | CHUK | O15111 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TYMS | P04818 | 2/20 | 0.32 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.32 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | NHERF1 | O14745 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL16571419 | 0.89 | GRM2 (0.36) | — | |
| SCHEMBL16571122 | 0.85 | MPO (0.34) | — | |
| SCHEMBL16571408 | 0.84 | IKBKB (0.40) | IKBKBCHUKPARP1KDM1A | |
| SCHEMBL16570970 | 0.82 | MPO (0.38) | PDE3BPDE3A | |
| SCHEMBL16571394 | 0.80 | GPR52 (0.36) | — | |
| SCHEMBL16571160 | 0.78 | KDM4E (0.39) | — | |
| SCHEMBL16570657 | 0.78 | VNN1 (0.35) | — | |
| SCHEMBL16571384 | 0.75 | GPER1 (0.38) | — | |
| SCHEMBL16571180 | 0.74 | SLC22A12 (0.42) | PARP1 | |
| SCHEMBL16571634 | 0.73 | SLC22A12 (0.38) | NHERF1PYGLKDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3044207-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015036412-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-19 | — | — | WO | disclosed |