Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 7/20 | 0.46 |
| ▸ | CDK9 | P50750 | 7/20 | 0.46 |
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | USP19 | O94966 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23303162 | 0.87 | PARP1 (0.47) | CCNT1CDK9PARP1PARP2MEN1 | |
| SCHEMBL23302794 | 0.76 | PARP1 (0.47) | CCNT1CDK9PARP1PARP2JAK1 | |
| SCHEMBL29882273 | 0.76 | PARP1 (0.47) | CCNT1CDK9PARP1PARP2JAK1 | |
| SCHEMBL23303591 | 0.74 | PARP1 (0.49) | CCNT1CDK9PARP1PARP2MEN1 | |
| SCHEMBL29882305 | 0.74 | PARP1 (0.50) | PARP1MEN1KMT2A | |
| SCHEMBL23303869 | 0.73 | PARP1 (0.55) | CCNT1CDK9PARP1PARP2MEN1 | |
| SCHEMBL23303966 | 0.72 | PARP1 (0.56) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL23303590 | 0.71 | PARP1 (0.44) | CCNT1CDK9PARP1PARP2MEN1 | |
| SCHEMBL29882190 | 0.71 | PARP1 (0.44) | CCNT1CDK9PARP1PARP2MEN1 | |
| SCHEMBL5376595 | 0.70 | ALDH1A1 (0.48) | PARP1MEN1KMT2ANAMPT |
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-2021086077-A1 | ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE | 충남대학교 산학협력단 | 2021-05-06 | — | — | WO | disclosed |