Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | TNKS | O95271 | 3/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8548460 | 0.86 | NPSR1 (0.62) | ALDH1A1SMN1; SMN2ATMNPSR1MAPT | |
| SCHEMBL8553016 | 0.85 | NPSR1 (0.45) | ALDH1A1SMN1; SMN2ATMNPSR1MAPT | |
| SCHEMBL8551547 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2ATMNPSR1GRM2 | |
| SCHEMBL8546629 | 0.80 | PARP1 (0.40) | MAPTPARP1MAP2K4MAPK1ROCK1 | |
| SCHEMBL8551845 | 0.80 | ROCK2 (0.48) | ALDH1A1SMN1; SMN2ATMNPSR1GRM2 | |
| SCHEMBL27721566 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPSR1GRM2MAPT | |
| SCHEMBL8551923 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2ATMNPSR1GRM2 | |
| SCHEMBL7884963 | 0.78 | ATM (0.73) | ALDH1A1SMN1; SMN2ATMNPSR1GRM2 | |
| SCHEMBL8550946 | 0.77 | ADORA2A (0.41) | ALDH1A1ATMNPSR1MAPTPARP1 | |
| SCHEMBL8547990 | 0.77 | NPSR1 (0.50) | ALDH1A1SMN1; SMN2ATMNPSR1MAPT |
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-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |