Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL14101756 | 0.89 | GAA (0.51) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14102060 | 0.87 | SMN1; SMN2 (0.56) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL4720975 | 0.83 | NPSR1 (0.64) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14101931 | 0.83 | SMN1; SMN2 (0.54) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14102011 | 0.79 | SMN1; SMN2 (0.47) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14102010 | 0.78 | SMN1; SMN2 (0.46) | GAASMN1; SMN2NPSR1CYP2C9MAPT | |
| SCHEMBL14102068 | 0.77 | SMN1; SMN2 (0.45) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14101750 | 0.77 | GAA (0.49) | GAASMN1; SMN2NPSR1MAPTMAPK1 | |
| SCHEMBL14101814 | 0.76 | SMN1; SMN2 (0.44) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 | |
| SCHEMBL14101752 | 0.74 | SMN1; SMN2 (0.42) | GAASMN1; SMN2NPSR1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |