Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 16/20 | 0.49 |
| ▸ | CASP7 | P55210 | 12/20 | 0.49 |
| ▸ | CASP9 | P55211 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 7/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 4/20 | 0.46 |
| ▸ | CASP2 | P42575 | 3/20 | 0.46 |
| ▸ | CASP4 | P49662 | 2/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.46 |
| ▸ | LOX | P28300 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6954700 | 1.00 | CASP3 (0.49) | CASP3CASP7CASP9CASP1GAA | |
| SCHEMBL7440426 | 0.88 | CASP3 (0.51) | CASP3CASP7CASP9CASP1GAA | |
| SCHEMBL8307728 | 0.86 | CASP3 (0.68) | CASP3CASP7CASP9CASP1 | |
| SCHEMBL6947728 | 0.86 | CASP3 (0.68) | CASP3CASP7CASP9CASP1 | |
| SCHEMBL7444177 | 0.81 | CYP3A4 (0.57) | CASP3CASP7CASP9CASP1GAA | |
| SCHEMBL6535733 | 0.80 | CASP3 (0.74) | CASP3CASP7CASP9CASP1CASP6 | |
| SCHEMBL7433422 | 0.80 | PSEN1 (0.56) | CASP3CASP7CASP9GAA | |
| SCHEMBL6535888 | 0.80 | CASP3 (0.74) | CASP3CASP7CASP9CASP1CASP6 | |
| SCHEMBL6951145 | 0.77 | FKBP1A (0.58) | CASP3CASP7GAA | |
| SCHEMBL6954598 | 0.76 | GAA (0.63) | CASP3CASP7CASP9CASP1GAA |
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-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |