Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.74 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.49 |
| ▸ | SI | P14410 | 1/20 | 0.49 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10730869 | 0.87 | KDM4E (0.76) | ALDH1A1KDM4ENPSR1MAPTGAA | |
| SCHEMBL10659837 | 0.87 | KDM4E (0.61) | ALDH1A1KDM4ECACNA1CNPSR1MAPT | |
| SCHEMBL9637750 | 0.86 | KDM4E (0.74) | ALDH1A1KDM4ENPSR1MAPTGAA | |
| SCHEMBL11010941 | 0.86 | KDM4E (0.74) | ALDH1A1KDM4ENPSR1MAPTGAA | |
| SCHEMBL9689623 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4ECACNA1CNPSR1MAPT | |
| SCHEMBL7379319 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KDM4ECACNA1CNPSR1MAPT | |
| Hydrochloric Acid SCHEMBL10334321 | 0.85 | KDM4E (0.73) | ALDH1A1KDM4ENPSR1MAPTGAA | |
| SCHEMBL11003495 | 0.85 | KDM4E (0.69) | ALDH1A1KDM4ECACNA1CCACNA1FCACNA1D | |
| SCHEMBL7383959 | 0.84 | KDM4E (0.72) | ALDH1A1KDM4ENPSR1MAPTGAA | |
| SCHEMBL11012267 | 0.84 | KDM4E (0.68) | ALDH1A1KDM4ECACNA1CNPSR1MAPT |
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-4532248-A | Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |