Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | TTR | P02766 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ACLY | P53396 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL374815 | 0.82 | HSD17B10 (0.58) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL5315670 | 0.75 | ERN1 (0.46) | IDO1CA12CA1CA9TTR | |
| SCHEMBL5399616 | 0.75 | ERN1 (0.46) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL1684148 | 0.71 | IDO1 (0.43) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL7839561 | 0.71 | PTGS1 (0.47) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL2250088 | 0.71 | IDO1 (0.43) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL102065 | 0.71 | THRB (0.48) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL22777763 | 0.70 | HSD17B10 (0.61) | IDO1CA12CA1CA9HSD17B10 | |
| Hydrochloric Acid SCHEMBL6267077 | 0.70 | THRB (0.46) | IDO1CA12CA1CA9HSD17B10 | |
| SCHEMBL28041268 | 0.68 | IDO1 (0.33) | IDO1CA12CA1CA9CYP3A4 |
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 |