Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 12/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20100677 | 0.83 | ALDH1A1 (0.43) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL20100561 | 0.81 | PARP1 (0.56) | ALDH1A1GAAPARP1KDM4EHSD17B10 | |
| SCHEMBL2485535 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL10446487 | 0.75 | ALDH1A1 (0.47) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL13589774 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL31750298 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL13589780 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL20100521 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL20123424 | 0.73 | PARP1 (0.40) | ALDH1A1GAAPARP1CHEK1AURKA | |
| SCHEMBL20100606 | 0.72 | RPS6KA3 (0.51) | ALDH1A1GSK3BRPS6KA3KDM4EHSD17B10 |
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-2018079628-A1 | PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF | 大日本住友製薬株式会社 | 2018-05-03 | — | — | WO | disclosed |