Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL31378079 | 1.00 | TLR4 (0.37) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL9057102 | 1.00 | TLR4 (0.37) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL7912011 | 1.00 | TLR4 (0.37) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL7911897 | 0.94 | CYP1A2 (0.35) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL7911892 | 0.94 | CYP1A2 (0.35) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL7911906 | 0.94 | CYP1A2 (0.35) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL7911903 | 0.94 | CYP1A2 (0.35) | TLR4CYP1A2LMNAMAPK1HTT | |
| SCHEMBL19175746 | 0.92 | — | — | |
| SCHEMBL6461080 | 0.91 | TLR4 (0.39) | TLR4 | |
| SCHEMBL6461077 | 0.91 | TLR4 (0.39) | TLR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023209049-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-11-02 | — | — | WO | disclosed |
| WO-2023066827-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-04-27 | — | — | WO | disclosed |