Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.70 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.70 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.70 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.70 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.70 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Dodecyl Gallate SCHEMBL20450222 | 1.00 | ESR1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Dodecyl Gallate SCHEMBL2328908 | 1.00 | ESR1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Octyl_Gallate SCHEMBL29883664 | 1.00 | ESR1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Hexadecyl Gallate SCHEMBL29376835 | 1.00 | ESR1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Gallic Acid SCHEMBL6897461 | 0.86 | KAT8 (0.49) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Gallic Acid SCHEMBL29061494 | 0.86 | KAT8 (0.49) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28459672 | 0.86 | ESR1 (0.61) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28591660 | 0.86 | ESR1 (0.61) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2292179 | 0.86 | ESR1 (0.63) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Propyl Gallate SCHEMBL29361471 | 0.85 | SERPINE1 (0.56) | 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 |
|---|---|---|---|---|---|---|---|
| CN-111560180-B | Composition, cured product and article | 荒川化学工业株式会社 | 2022-07-05 | — | — | CN | disclosed |