Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.60 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | EPRS1 | P07814 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1034874 | 0.88 | PARP1 (0.62) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7042977 | 0.88 | PARP1 (0.78) | PARP1PARP2RXFP1 | |
| SCHEMBL7044628 | 0.84 | PARP1 (0.60) | PARP1PARP2ALDH1A1 | |
| SCHEMBL31353202 | 0.77 | PARP1 (0.59) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7111338 | 0.77 | PARP1 (0.80) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7039537 | 0.76 | AURKA (0.51) | PARP1ALDH1A1 | |
| SCHEMBL1033372 | 0.76 | PARP1 (0.62) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7112515 | 0.75 | PARP1 (1.00) | PARP1PARP2 | |
| SCHEMBL7113559 | 0.75 | PARP1 (0.67) | PARP1PARP2ALDH1A1RXFP1 | |
| SCHEMBL24186148 | 0.74 | ALDH1A1 (0.59) | PARP1PARP2ALDH1A1 |
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-2003007959-A1 | QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-01-30 | — | — | WO | disclosed |