Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.74 |
| ▸ | PARP2 | Q9UGN5 | 11/20 | 0.74 |
| ▸ | PARP3 | Q9Y6F1 | 11/20 | 0.74 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2268500 | 0.94 | PARP1 (0.66) | PARP1PARP2PARP3 | |
| SCHEMBL2262015 | 0.88 | PARP1 (0.72) | PARP1PARP2PARP3 | |
| SCHEMBL30875666 | 0.87 | PARP1 (0.73) | PARP1PARP2PARP3 | |
| SCHEMBL2268369 | 0.87 | PARP1 (0.73) | PARP1PARP2PARP3 | |
| SCHEMBL30157342 | 0.85 | PARP1 (0.81) | PARP1PARP2PARP3 | |
| SCHEMBL2265683 | 0.85 | PARP1 (1.00) | PARP1PARP2PARP3 | |
| SCHEMBL2268503 | 0.84 | PARP1 (0.65) | PARP1PARP2PARP3 | |
| SCHEMBL30157554 | 0.81 | PARP1 (0.71) | PARP1PARP2PARP3 | |
| SCHEMBL30875676 | 0.80 | PARP1 (0.83) | PARP1PARP2PARP3 | |
| Trifluoroacetic Acid SCHEMBL27759055 | 0.80 | PARP1 (0.72) | PARP1PARP2PARP3 |
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-2007733-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007113596-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-10-11 | — | — | WO | disclosed |