Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 4/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400883 | 0.85 | PARP1 (0.40) | PARP1 | |
| SCHEMBL203473 | 0.82 | PARP1 (0.45) | PARP1 | |
| SCHEMBL205969 | 0.77 | PARP1 (0.43) | PARP1PARP2PARP3AURKAKDR | |
| SCHEMBL204347 | 0.74 | HCRTR1 (0.40) | — | |
| SCHEMBL206535 | 0.73 | PARP1 (0.42) | PARP1AURKA | |
| SCHEMBL204482 | 0.72 | PARP1 (0.41) | PARP1PARP2AURKA | |
| SCHEMBL3399831 | 0.71 | PTGIR (0.45) | PARP1 | |
| SCHEMBL204681 | 0.70 | PARP1 (0.41) | PARP1PARP2AURKA | |
| SCHEMBL205995 | 0.70 | PARP1 (0.61) | PARP1PARP2PARP3 | |
| SCHEMBL204172 | 0.68 | PARP1 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247600-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | Lead Therapeutics, Inc. (US) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009099736-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | LEAD THERAPEUTICS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |