Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 17/20 | 0.70 |
| ▸ | TNKS | O95271 | 2/20 | 0.70 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.70 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.69 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.66 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.66 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.66 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.66 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.66 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.66 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.66 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.66 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.66 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.66 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.66 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.66 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.66 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.66 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL10054070 | 0.92 | PARP1 (0.73) | PARP1TNKSTNKS2HSP90AA1HSP90AB1 | |
| SCHEMBL10053995 | 0.88 | PARP1 (0.68) | PARP1TNKSTNKS2HSP90AA1HSP90AB1 | |
| SCHEMBL18324183 | 0.87 | PARP1 (0.71) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL15846299 | 0.86 | PARP1 (0.75) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL16572001 | 0.86 | PARP1 (0.78) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL30437335 | 0.86 | PARP1 (0.78) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL15856682 | 0.85 | PARP1 (0.73) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL10053956 | 0.85 | PARP1 (0.67) | PARP1TNKSTNKS2HSP90AA1HSP90AB1 | |
| SCHEMBL18819228 | 0.85 | PARP1 (0.66) | PARP1TNKSTNKS2HSP90AA1HSP90AB1 | |
| SCHEMBL10054072 | 0.85 | PARP1 (0.69) | PARP1TNKSTNKS2HSP90AA1HSP90AB1 |
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-2012019426-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |