Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.52 |
| ▸ | PRAP1 | Q96NZ9 | 1/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.48 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.48 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.48 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.48 |
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 SCHEMBL4249900 | 0.96 | PARP1 (0.49) | PARP1PRAP1TNKSADORA1CDK6 | |
| SCHEMBL3076041 | 0.82 | PARP1 (0.49) | PARP1TNKSADORA1CDK6PDE3A | |
| SCHEMBL3068727 | 0.82 | PARP1 (0.49) | PARP1TNKSADORA1CDK6PDE3A | |
| SCHEMBL3081166 | 0.82 | PARP1 (0.49) | PARP1TNKSADORA1CDK6PDE3A | |
| SCHEMBL4249911 | 0.82 | PARP1 (0.47) | PARP1PRAP1TNKSADORA1CDK6 | |
| SCHEMBL20544239 | 0.79 | PARP1 (0.65) | PARP1PARP3 | |
| SCHEMBL20544628 | 0.78 | PARP1 (0.53) | PARP1PRAP1 | |
| SCHEMBL15988316 | 0.78 | PARP1 (0.55) | PARP1PARP2 | |
| SCHEMBL20544236 | 0.77 | PARP1 (0.56) | PARP1PRAP1TNKSADORA1CDK6 | |
| SCHEMBL15988424 | 0.77 | PARP1 (0.56) | PARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029551-B1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | MSD ITALIA SRL (IT) | 2018-10-31 | — | — | EP | claimed |