Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.61 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2292179 | 0.93 | ESR1 (0.63) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2552137 | 0.88 | SERPINE1 (0.50) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28417547 | 0.86 | ESR1 (0.59) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL17220942 | 0.84 | ESR1 (0.82) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2035001 | 0.82 | POLB (0.51) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2034409 | 0.82 | POLB (0.51) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL17220946 | 0.80 | ESR1 (0.81) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL11234283 | 0.79 | POLB (0.56) | ESR1SERPINE1 | |
| Dodecyl Gallate SCHEMBL2328908 | 0.79 | ESR1 (0.70) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Octyl_Gallate SCHEMBL29883664 | 0.79 | ESR1 (0.70) | 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-2011124573-A1 | ORAL CARE COMPOSITIONS | UNILEVER PLC (GB) | 2011-10-13 | — | — | WO | disclosed |