Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699327 | 1.00 | ESR1 (0.44) | ESR1ESR2HSD17B3CA12CA1 | |
| SCHEMBL2384369 | 1.00 | ESR1 (0.44) | ESR1ESR2HSD17B3CA12CA1 | |
| SCHEMBL5699336 | 1.00 | ESR1 (0.44) | ESR1ESR2HSD17B3CA12CA1 | |
| SCHEMBL10410232 | 0.94 | ESR1 (0.46) | ESR1ESR2HSD17B3CA12CA1 | |
| SCHEMBL2417275 | 0.92 | PSMB11 (0.48) | CYP1A2MAPK1CYP2C19TRPV1KDM4E | |
| SCHEMBL2417274 | 0.92 | PSMB11 (0.48) | CYP1A2MAPK1CYP2C19TRPV1KDM4E | |
| SCHEMBL28920116 | 0.89 | MEN1 (0.47) | LMNATSHRMAPK1SMN1; SMN2MMP9 | |
| SCHEMBL9090315 | 0.87 | ALDH1A1 (0.49) | LMNACYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL8818975 | 0.86 | MMP8 (0.48) | LMNATSHRSMN1; SMN2ALDH1A1MMP8 | |
| SCHEMBL4886826 | 0.86 | MMP8 (0.48) | LMNATSHRSMN1; SMN2ALDH1A1MMP8 |
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-1516866-B1 | NATURAL COMPOUNDS AND DERIVATIVES THEREOF FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR, HEPATIC AND RENAL DISEASES AND FOR COSMETIC APPLICATIONS | PULEVA BIOTECH SA (ES) | 2006-07-12 | — | — | EP | claimed |