Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | SMYD2 | Q9NRG4 | 4/20 | 0.40 |
| ▸ | ACACB | O00763 | 5/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 3/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487774 | 0.88 | CKS1B (0.47) | PARP1TNKS2PARP2UCHL1HDAC1 | |
| SCHEMBL2487131 | 0.80 | IDO1 (0.42) | PARP1TNKS2PARP2ACACBHDAC1 | |
| SCHEMBL2485090 | 0.80 | MAP2K4 (0.43) | PARP1TNKS2PARP2C5AR1UCHL1 | |
| SCHEMBL2488516 | 0.79 | BTK (0.40) | PARP1TNKS2PARP2C5AR1 | |
| SCHEMBL2484169 | 0.78 | ROCK2 (0.46) | PARP1TNKS2PARP2HDAC1HDAC6 | |
| SCHEMBL2487072 | 0.75 | PARP1 (0.45) | PARP1TNKS2PARP2C5AR1UCHL1 | |
| SCHEMBL3106590 | 0.75 | C5AR1 (0.44) | PARP1TNKS2PARP2C5AR1 | |
| SCHEMBL3107513 | 0.74 | PDE10A (0.50) | — | |
| SCHEMBL2486452 | 0.74 | NR1H2 (0.51) | PARP1TNKS2PARP2ACACBMAPK1 | |
| SCHEMBL2488053 | 0.72 | GLS (0.44) | PARP1TNKS2PARP2HDAC1HDAC6 |
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-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |