Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28948169 | 0.88 | NR5A2 (0.47) | CYP2C9CYP2C19ESR1AKR1C4AKR1C3 | |
| SCHEMBL27459727 | 0.84 | NR5A2 (0.46) | CYP2C9CYP2C19ESR1AKR1C4AKR1C3 | |
| SCHEMBL28354443 | 0.83 | HSPA5 (0.45) | HSPA5ESR1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL5405788 | 0.83 | HMGCR (0.47) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL29357080 | 0.81 | ESR1 (0.49) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL38945 | 0.81 | ESR1 (0.49) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL11662404 | 0.81 | ESR1 (0.41) | CYP2C19SMN1; SMN2ESR1CYP2D6AKR1C4 | |
| SCHEMBL11464540 | 0.80 | ESR1 (0.45) | CYP2C19ESR1CYP2D6AKR1C4AKR1C3 | |
| SCHEMBL11610619 | 0.80 | ESR1 (0.48) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28315152 | 0.79 | HSPA5 (0.43) | HSPA5ESR1AKR1C4AKR1C3AKR1C2 |
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-108495888-B | Additive mixture for stabilizing polyols and polyurethanes | 巴斯夫欧洲公司 | 2021-03-02 | — | — | CN | disclosed |