Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31116 | 0.85 | MEN1 (0.35) | CES1L3MBTL1NOTUMGAATDP1 | |
| Hydrochloric Acid SCHEMBL3646726 | 0.83 | MEN1 (0.33) | CES1L3MBTL1NOTUMGAATDP1 | |
| Fluoride SCHEMBL4741377 | 0.83 | MEN1 (0.33) | CES1L3MBTL1NOTUMGAATDP1 | |
| Iodide SCHEMBL7508635 | 0.83 | S100A4 (0.34) | CES1L3MBTL1NOTUMGAATDP1 | |
| Hydrochloric Acid SCHEMBL3397921 | 0.83 | MEN1 (0.33) | CES1L3MBTL1NOTUMGAATDP1 | |
| Fumaric Acid SCHEMBL4611826 | 0.83 | KDM4E (0.39) | L3MBTL1NOTUMGAATDP1 | |
| Trifluoroacetic Acid SCHEMBL31674669 | 0.79 | CES1 (0.37) | CES1L3MBTL1 | |
| Anthraquinone SCHEMBL7263957 | 0.69 | MEN1 (0.57) | CES1L3MBTL1 | |
| SCHEMBL3590698 | 0.68 | NOTUM (0.33) | CES1NOTUM | |
| Trifluoroacetic Acid SCHEMBL14352289 | 0.66 | CES1 (0.37) | CES1L3MBTL1GAATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |