Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26558469 | 0.83 | CHRM2 (0.35) | APPCYP3A4CYP2C9 | |
| SCHEMBL26565675 | 0.82 | APP (0.35) | APPCYP3A4CYP2C9 | |
| SCHEMBL26482595 | 0.81 | CYP3A4 (0.37) | APPCYP3A4CYP2C9 | |
| SCHEMBL24300676 | 0.80 | CYP3A4 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481787 | 0.80 | CTSK (0.34) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481782 | 0.78 | CHRM2 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481790 | 0.78 | CYP3A4 (0.35) | APPCYP3A4CYP2C9 | |
| SCHEMBL27254218 | 0.74 | CYP3A4 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481784 | 0.74 | CTSK (0.35) | — | |
| SCHEMBL24301044 | 0.74 | S1PR1 (0.31) | — |
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-2023198671-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-19 | — | — | WO | disclosed |