Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL78286 | 0.80 | ERN1 (0.56) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL27540052 | 0.77 | ERN1 (0.54) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL5310503 | 0.75 | IDO1 (0.43) | CA9CA12CA1IDO1PTGS1 | |
| SCHEMBL5513552 | 0.75 | ERN1 (0.52) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL8059874 | 0.72 | IDO1 (0.55) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL5399616 | 0.68 | ERN1 (0.46) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL1521925 | 0.68 | ERN1 (0.46) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL1155741 | 0.68 | ERN1 (0.46) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL12023112 | 0.68 | PTGS1 (0.50) | ERN1CA9CA12CA1IDO1 | |
| SCHEMBL104581 | 0.68 | ERN1 (0.46) | ERN1CA9CA12CA1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1765795-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Addex Pharmaceuticals SA (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123703-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2005-12-29 | — | — | WO | disclosed |