Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL27409954 | 0.88 | ESR1 (0.36) | NEK1SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL27252972 | 0.82 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL26482548 | 0.80 | SLC6A4 (0.35) | NEK1SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL26482656 | 0.75 | SLC6A4 (0.33) | SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL18458598 | 0.74 | SLC6A4 (0.41) | NEK1SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL18458616 | 0.74 | SLC6A4 (0.41) | NEK1SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL18459127 | 0.74 | SLC6A4 (0.46) | SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL21784989 | 0.71 | SLC6A4 (0.46) | SLC6A4CYP17A1DPP4DPP8 | |
| SCHEMBL27027790 | 0.70 | APP (0.33) | — | |
| SCHEMBL27114878 | 0.69 | SLC6A4 (0.34) | SLC6A4CYP17A1DPP4DPP8 |
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 |