Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510991 | 0.86 | ESR1 (0.39) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL2571819 | 0.81 | ESR1 (0.48) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL2567280 | 0.71 | ESR1 (0.43) | ESR1ESR2TTRMAOAMAOB | |
| SCHEMBL2571217 | 0.70 | ESR1 (0.46) | ESR1ESR2TTRCYP19A1ALOX12 | |
| SCHEMBL30459494 | 0.70 | ESR2 (0.82) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL30720187 | 0.70 | ESR2 (0.82) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL4360255 | 0.70 | ESR2 (0.82) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL11164451 | 0.69 | ESR2 (0.80) | ESR1ESR2TTRCYP19A1MAOA | |
| SCHEMBL10685626 | 0.69 | CYP19A1 (0.69) | CYP19A1MAOAMAOBPSMB5ALOX12 | |
| SCHEMBL30251185 | 0.69 | CYP19A1 (0.69) | CYP19A1MAOAMAOBPSMB5ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005103025-A1 | ISOFLAVENE SYNTHETIC METHOD AND CATALYST | NOVOGEN RESEARCH PTY LTD (AU) | 2005-11-03 | — | — | WO | disclosed |