Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.43 |
| ▸ | CCNC | P24863 | 3/20 | 0.43 |
| ▸ | CDK8 | P49336 | 3/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16115220 | 0.90 | CCNC (0.43) | PIK3C3ATRAAK1CCNCCDK8 | |
| SCHEMBL5548970 | 0.81 | ATR (0.48) | PIK3C3ATRAAK1IRAK4GSK3B | |
| SCHEMBL16116380 | 0.78 | CCNC (0.68) | CCNCCDK8CYP3A4ALDH1A1LMNA | |
| SCHEMBL5251219 | 0.78 | EGFR (0.57) | PIK3C3AAK1IRAK4GSK3BDYRK1A | |
| SCHEMBL12127932 | 0.77 | FDPS (0.54) | PIK3C3AAK1GSK3BDYRK1AALDH1A1 | |
| SCHEMBL29992322 | 0.77 | AAK1 (0.48) | PIK3C3AAK1IRAK4GSK3BDYRK1A | |
| SCHEMBL8670718 | 0.77 | FDPS (0.50) | PIK3C3AAK1IRAK4GSK3BDYRK1A | |
| SCHEMBL17643492 | 0.77 | AAK1 (0.48) | PIK3C3AAK1IRAK4GSK3BDYRK1A | |
| SCHEMBL16115068 | 0.76 | CCNC (0.70) | CCNCCDK8DYRK1AALDH1A1LMNA | |
| SCHEMBL16116358 | 0.76 | CCNC (0.51) | CCNCCDK8ALDH1A1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014154723-A1 | NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014154723-A1 | NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-02 | — | — | WO | disclosed |