Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.73 |
| ▸ | PRAP1 | Q96NZ9 | 1/20 | 0.73 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.72 |
| ▸ | TNKS | O95271 | 1/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.72 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.72 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.72 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.72 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.72 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.72 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.72 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.72 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.72 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.72 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.72 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.72 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.72 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.72 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.72 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL30364626 | 0.88 | PARP1 (0.79) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL25150398 | 0.88 | PARP1 (0.79) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL30364481 | 0.88 | PARP1 (0.73) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL78306 | 0.87 | PARP1 (0.80) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL17961765 | 0.87 | PARP1 (0.72) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL19569971 | 0.87 | PARP1 (0.90) | PARP1PARP2TNKSADORA1CDK6 | |
| SCHEMBL16571921 | 0.86 | PARP1 (0.73) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL16571971 | 0.86 | PARP1 (0.73) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL16571923 | 0.86 | PARP1 (0.73) | PARP1PRAP1PARP2TNKSADORA1 | |
| SCHEMBL16571825 | 0.86 | PARP1 (0.73) | PARP1PRAP1PARP2TNKSADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117683020-A | Aminopyridine compound of phthalazinone, preparation method thereof and application thereof in preparation of inhibitor and antitumor drug | 华南理工大学 | 2024-03-12 | — | — | CN | disclosed |