Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28170666 | 0.82 | GAA (0.43) | GAAKLKB1HSP90AA1HSP90AB1AADAT | |
| SCHEMBL17459119 | 0.80 | HSP90AA1 (0.43) | GAAKLKB1HSP90AA1HSP90AB1AADAT | |
| SCHEMBL21420053 | 0.80 | HSP90AA1 (0.43) | GAAKLKB1HSP90AA1HSP90AB1AADAT | |
| SCHEMBL17459132 | 0.80 | HSP90AA1 (0.47) | GAAKLKB1HSP90AA1HSP90AB1NPC1 | |
| SCHEMBL3696651 | 0.80 | GAA (0.46) | GAAKLKB1HSP90AA1HSP90AB1AADAT | |
| SCHEMBL2361709 | 0.79 | GAA (0.54) | GAAKLKB1KMT2ADGAT1 | |
| SCHEMBL3355699 | 0.79 | GAA (0.54) | GAAKLKB1DGAT1 | |
| SCHEMBL20521155 | 0.78 | KLKB1 (0.43) | GAAKLKB1HSP90AA1HSP90AB1AADAT | |
| SCHEMBL15049569 | 0.78 | GAA (0.59) | GAAKLKB1DGAT1 | |
| SCHEMBL20521837 | 0.78 | GAA (0.53) | GAAKLKB1AADATDGAT1 |
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-2181110-A2 | NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009010455-A2 | PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | disclosed |