Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25328987 | 1.00 | ESR1 (0.37) | ESR1ESR2GABRA1GABRB2SHBG | |
| SCHEMBL25328775 | 0.89 | GABRA1 (0.46) | ESR1ESR2GABRA1GABRB2MAOA | |
| SCHEMBL14707597 | 0.87 | SHBG (0.35) | ESR1ESR2SHBGHSPA5CYP2C9 | |
| SCHEMBL13431468 | 0.82 | CA2 (0.46) | ESR1ESR2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16546632 | 0.79 | CYP3A4 (0.49) | ESR1ESR2CYP3A4HPGDCA2 | |
| SCHEMBL25328398 | 0.78 | NQO1 (0.38) | ESR1ESR2SHBGMAOAHSD17B10 | |
| SCHEMBL30356462 | 0.78 | NQO1 (0.38) | ESR1ESR2SHBGMAOAHSD17B10 | |
| SCHEMBL14707599 | 0.78 | SHBG (0.42) | SHBGHSPA5CYP2C9CYP2C19HIF1A | |
| SCHEMBL25328151 | 0.75 | PTGS1 (0.50) | ESR1PTGS1PTGS2THRATHRB | |
| SCHEMBL32689520 | 0.75 | ALDH1A1 (0.36) | ESR1ESR2SHBGMAOAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4161892-A1 | POLYMERIZATION INHIBITORS | BASF SE (DE) | 2023-04-12 | — | — | EP | disclosed |