Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.56 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3969988 | 0.90 | ATM (0.58) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL31014274 | 0.88 | ATM (0.67) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL15880419 | 0.81 | ATM (0.67) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL24000694 | 0.81 | ENPP1 (0.67) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL31384270 | 0.80 | ENPP1 (0.67) | ATMNPSR1KDM4EENPP1ROCK1 | |
| Hydrochloric Acid SCHEMBL30089010 | 0.80 | ATM (0.65) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL19675414 | 0.79 | ROCK1 (0.67) | ATMNPSR1KDM4EROCK1ROCK2 | |
| Hydrochloric Acid SCHEMBL30088814 | 0.79 | ENPP1 (0.66) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL1786578 | 0.79 | ATM (0.73) | ATMNPSR1KDM4EENPP1ROCK1 | |
| SCHEMBL19675093 | 0.79 | ROCK1 (0.60) | KDM4EROCK1ROCK2NCOA1NCOA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7425563-B2 | Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2008-09-16 | — | — | US | disclosed |