Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 11/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30808505 | 1.00 | GRM5 (0.49) | GRM5SLC6A2CA12CA2CA9 | |
| SCHEMBL3614755 | 0.85 | GRM5 (0.39) | GRM5CYP1A2 | |
| SCHEMBL31286312 | 0.80 | CA12 (0.62) | GRM5SLC6A2CA12CA2CA9 | |
| SCHEMBL9302636 | 0.80 | CA12 (0.62) | GRM5SLC6A2CA12CA2CA9 | |
| SCHEMBL852757 | 0.79 | GRM5 (0.43) | GRM5CA12CA9CA1 | |
| SCHEMBL9082431 | 0.78 | MEN1 (0.36) | GRM5SLC6A2CYP1A2 | |
| SCHEMBL30293690 | 0.78 | BACE1 (0.41) | GRM5SLC6A2 | |
| SCHEMBL25693983 | 0.78 | BACE1 (0.41) | GRM5SLC6A2 | |
| SCHEMBL23867871 | 0.78 | APP (0.50) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL31349195 | 0.78 | GRM5 (0.56) | GRM5CA12CA2CA9CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102603568-A | Fluorine-containing bis-diphenylacetylene liquid crystal compound and preparation method thereof | UNIV BEIJING SCIENCE & TECH | 2012-07-25 | — | — | CN | disclosed |
| WO-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |