Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.40 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.40 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.40 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL526464 | 0.85 | PARP1 (0.61) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL528068 | 0.80 | PARP1 (0.47) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL12467148 | 0.79 | PARP1 (0.69) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL526826 | 0.73 | PARP1 (0.47) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL525419 | 0.73 | PARP1 (0.48) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL530359 | 0.72 | PARP1 (0.68) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL526566 | 0.71 | PARP1 (0.46) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL22799419 | 0.71 | PARP1 (0.67) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL23113132 | 0.71 | PARP1 (0.66) | PARP1TNKSTNKS2ADORA1CDK6 | |
| SCHEMBL30266813 | 0.71 | PARP1 (0.66) | PARP1TNKSTNKS2ADORA1CDK6 |
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-2598491-A1 | SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS | Cadila Healthcare Limited (IN) | 2013-06-05 | — | — | EP | claimed |
| WO-2012014221-A1 | SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS | CADILA HEALTHCARE LIMITED (IN) | 2012-02-02 | — | — | WO | claimed |