Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 6/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736187 | 0.79 | SERPINE1 (0.64) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28322535 | 0.75 | ESR1 (0.57) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27877694 | 0.74 | POLB (0.57) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4736558 | 0.74 | ESR1 (0.65) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27550536 | 0.73 | ESR1 (0.52) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4734155 | 0.72 | SERPINE1 (0.59) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4735006 | 0.70 | SERPINE1 (0.46) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27074494 | 0.70 | SERPINE1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL39620 | 0.70 | SERPINE1 (0.69) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1926638 | 0.69 | ALDH1A1 (0.64) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 |
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-2008065527-A2 | GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS | GHISALBERTI CARLO (BR) | 2008-06-05 | — | — | WO | disclosed |