Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27409876 | 0.88 | NEK1 (0.34) | CYP17A1SLC6A4NEK1DPP4DPP8 | |
| SCHEMBL27409950 | 0.82 | ESR1 (0.41) | ESR1ESR2CYP17A1ALOX5APFEN1 | |
| SCHEMBL27114878 | 0.81 | SLC6A4 (0.34) | ESR1ESR2AKR1C3AKR1C2CYP17A1 | |
| SCHEMBL18458496 | 0.77 | SLC6A4 (0.38) | AKR1C3AKR1C2CYP17A1AKR1C4AKR1C1 | |
| SCHEMBL18458747 | 0.76 | AKR1C3 (0.41) | AKR1C3AKR1C2CYP17A1SLC6A4ALOX5AP | |
| SCHEMBL18458826 | 0.76 | AKR1C3 (0.41) | AKR1C3AKR1C2CYP17A1SLC6A4ALOX5AP | |
| SCHEMBL18458489 | 0.75 | MAOB (0.37) | AKR1C3AKR1C2CYP17A1SLC6A4 | |
| SCHEMBL18458495 | 0.75 | KIF11 (0.41) | AKR1C3AKR1C2CYP17A1AKR1C4AKR1C1 | |
| SCHEMBL18458493 | 0.75 | KIF11 (0.41) | AKR1C3AKR1C2CYP17A1AKR1C4AKR1C1 | |
| SCHEMBL21784989 | 0.74 | SLC6A4 (0.46) | AKR1C3AKR1C2CYP17A1SLC6A4DPP4 |
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-2024126567-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-20 | — | — | WO | disclosed |