Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | TACR2 | P21452 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SHBG | P04278 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.58 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11554693 | 1.00 | PPARA (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL10067551 | 1.00 | PPARA (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL3617672 | 1.00 | PPARA (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| Potassium SCHEMBL30435596 | 0.98 | PPARA (0.59) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL1004694 | 0.92 | NPC1 (0.68) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL8400508 | 0.92 | IGF1R (0.61) | PPARANPC1HPGDMAPK1HTT | |
| SCHEMBL9243034 | 0.89 | DRD2 (0.53) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL4839074 | 0.85 | KAT8 (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL6351263 | 0.85 | KAT8 (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL21612711 | 0.85 | KAT8 (0.61) | PPARAPTGS2ESR1ADRA2AADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703780-A4 | USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | UNIV SYDNEY (AU) | 1998-01-07 | — | — | EP | disclosed |
| CN-1124922-A | Use of natural products and related synthetic compounds for the treatment of cardiovascular diseases | UNIV SYDNEY (AU) | 1996-06-19 | — | — | CN | disclosed |
| EP-0703780-A1 | USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | THE UNIVERSITY OF SYDNEY (AU) | 1996-04-03 | — | — | EP | disclosed |