Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | PRKX | P51817 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16396919 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPSR1MAPTHTTROCK1 | |
| SCHEMBL16396348 | 0.88 | ALDH1A1 (0.46) | ALDH1A1NPSR1MAPTHTTROCK1 | |
| SCHEMBL18765605 | 0.88 | ALDH1A1 (0.46) | ALDH1A1NPSR1MAPTHTTROCK1 | |
| SCHEMBL22691484 | 0.87 | ALDH1A1 (0.43) | ALDH1A1NPSR1MAPTHTTCYP26A1 | |
| SCHEMBL22691487 | 0.87 | ALDH1A1 (0.43) | ALDH1A1NPSR1MAPTHTTCYP26A1 | |
| SCHEMBL16396920 | 0.87 | ALDH1A1 (0.43) | ALDH1A1NPSR1MAPTHTTCYP26A1 | |
| SCHEMBL22690845 | 0.85 | ALDH1A1 (0.42) | ALDH1A1NPSR1MAPTHTTCYP26A1 | |
| SCHEMBL14142694 | 0.83 | ALDH1A1 (0.59) | ALDH1A1NPSR1MAPTHTTCYP26A1 | |
| SCHEMBL14691111 | 0.83 | PHGDH (0.50) | ALDH1A1ROCK1PRKACACDK8GSK3A | |
| SCHEMBL16397066 | 0.83 | ALDH1A1 (0.44) | ALDH1A1NPSR1MAPTHTTCYP26A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3972590-A1 | NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES | Merck Sharp & Dohme Corp. (US) | 2022-03-30 | — | — | EP | disclosed |
| WO-2020236688-A1 | NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES | MERCK SHARP & DOHME CORP. (US) | 2020-11-26 | — | — | WO | disclosed |