Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP9 | P55211 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4146426 | 0.86 | ALDH1A1 (0.54) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL4139473 | 0.81 | CASP3 (0.46) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL4138837 | 0.80 | ALDH1A1 (0.49) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL15012550 | 0.79 | NLRP3 (0.50) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL7527833 | 0.79 | ABCB1 (0.56) | CASP3CASP7CASP9HPGDNPSR1 | |
| SCHEMBL2058956 | 0.78 | NLRP3 (0.57) | GAANPSR1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL25143181 | 0.77 | HPGD (0.60) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL14754055 | 0.77 | ESR1 (0.46) | CASP3CASP7CASP9HPGDGAA | |
| SCHEMBL16784834 | 0.77 | ALDH1A1 (0.52) | HPGDGAANPSR1KDM4EALDH1A1 | |
| SCHEMBL7391291 | 0.76 | SCN5A (0.50) | CASP3CASP7CASP9HPGDGAA |
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-6248766-B1 | CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-19 | — | — | US | disclosed |