Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 3/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23303869 | 0.92 | PARP1 (0.55) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL23303162 | 0.88 | PARP1 (0.47) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL23303966 | 0.79 | PARP1 (0.56) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL29882230 | 0.78 | PARP1 (0.56) | PARP1PARP2MEN1KMT2AMAPT | |
| SCHEMBL23303585 | 0.78 | PARP1 (0.56) | PARP1PARP2MEN1KMT2AMAPT | |
| SCHEMBL23302528 | 0.74 | CCNT1 (0.46) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL23303546 | 0.72 | PARP1 (0.50) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL29882275 | 0.72 | PARP1 (0.50) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL23302575 | 0.72 | PARP1 (0.50) | PARP1PARP2MEN1KMT2ANAMPT | |
| SCHEMBL29882057 | 0.72 | PARP1 (0.50) | PARP1PARP2MEN1KMT2ANAMPT |
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 |