Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19341333 | 0.75 | CYP2A6 (0.59) | ESR1CYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL27962083 | 0.73 | CYP2A6 (0.57) | ESR1CYP1A2CYP2A6 | |
| SCHEMBL29001851 | 0.73 | CYP1A2 (0.52) | ESR1CYP1A2CYP2A6 | |
| SCHEMBL5315803 | 0.72 | CYP1A2 (0.31) | CYP1A2CYP2A6 | |
| SCHEMBL4789261 | 0.72 | CA2 (0.48) | — | |
| SCHEMBL23788788 | 0.72 | ESR1 (0.42) | ESR1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL24175876 | 0.72 | ESR1 (0.42) | ESR1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL22401904 | 0.72 | ESR1 (0.42) | ESR1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL23788782 | 0.72 | ESR1 (0.42) | ESR1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL23420026 | 0.72 | GABRA1 (0.44) | ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210280870-A1 | POSITIVE ELECTRODE ACTIVE MATERIAL FOR MAGNESIUM BATTERIES | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2021-09-09 | — | — | US | disclosed |