Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL13564856 | 1.00 | ACHE (0.42) | ACHEBACE1GAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL13564870 | 0.90 | ACHE (0.49) | ACHEBACE1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL17089994 | 0.90 | ACHE (0.49) | ACHEBACE1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL13565625 | 0.88 | NPY5R (0.41) | ALDH1A1 | |
| SCHEMBL17089989 | 0.88 | NPY5R (0.41) | ALDH1A1 | |
| SCHEMBL17090105 | 0.87 | KMT2A (0.46) | ACHEBACE1GAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL13564855 | 0.87 | KMT2A (0.46) | ACHEBACE1GAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL17090147 | 0.85 | GAA (0.44) | ACHEBACE1GAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL13565098 | 0.85 | GAA (0.44) | ACHEBACE1GAAL3MBTL1SMN1; SMN2 | |
| SCHEMBL17090106 | 0.83 | DRD2 (0.44) | GAAL3MBTL1MAPTALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |