Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 7/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13685235 | 0.90 | PARP1 (0.33) | PARP1CYP2D6OPRK1 | |
| SCHEMBL2248077 | 0.83 | PARP1 (0.35) | PARP1CYP2D6OPRK1EPHB4 | |
| SCHEMBL2905425 | 0.76 | RECQL (0.34) | PARP1EPHB4 | |
| SCHEMBL4110377 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL13040631 | 0.70 | NCF1 (0.43) | JAK2PTK2TYK2JAK3 | |
| SCHEMBL2901477 | 0.69 | BRD4 (0.32) | PARP1EPHB4 | |
| SCHEMBL4596765 | 0.68 | ALDH1A1 (0.48) | PARP1CYP2D6 | |
| SCHEMBL3402236 | 0.64 | NPY1R (0.39) | PARP1 | |
| SCHEMBL11485763 | 0.62 | PARP1 (0.55) | PARP1 | |
| SCHEMBL4595116 | 0.62 | PARP1 (0.44) | PARP1 |
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-2262774-B1 | 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof | HOFFMANN LA ROCHE (CH) | 2012-11-14 | — | — | EP | disclosed |