Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 8/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 8/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2263386 | 0.90 | PARP1 (0.43) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL28779527 | 0.86 | PARP1 (0.41) | PARP1PARP2 | |
| SCHEMBL28624126 | 0.83 | PARP1 (0.55) | PARP1 | |
| SCHEMBL30158009 | 0.81 | PARP1 (0.57) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL2268852 | 0.79 | GAA (0.52) | PARP1PARP2PARP3TNKSCHRM2 | |
| SCHEMBL30157956 | 0.79 | PARP1 (0.49) | PARP1PARP2PARP3 | |
| SCHEMBL30157865 | 0.79 | PARP1 (0.56) | PARP1PARP2PARP3 | |
| SCHEMBL30158092 | 0.79 | PARP1 (0.53) | PARP1PARP2PARP3 | |
| SCHEMBL2270258 | 0.79 | BTK (0.50) | PARP1PARP2PARP3TNKSCHRM2 | |
| Trifluoroacetic Acid SCHEMBL2268479 | 0.78 | PARP1 (0.51) | PARP1PARP2PARP3TNKSPARP10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101415686-B | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO | 2013-03-13 | — | — | CN | disclosed |
| CN-101415686-A | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO (IT) | 2009-04-22 | — | — | CN | disclosed |