Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612786 | 0.71 | PKM (0.54) | PKMHCRTR2NPC1RAB9AMAPT | |
| SCHEMBL31319648 | 0.71 | MAPT (0.40) | PKMMAPTMEN1KMT2ALMNA | |
| SCHEMBL16612991 | 0.70 | HCRTR2 (0.47) | PKMHCRTR2MAPTMEN1KMT2A | |
| SCHEMBL12479071 | 0.70 | HCRTR2 (0.46) | PKMHCRTR2MAPTMEN1KMT2A | |
| SCHEMBL16612851 | 0.69 | HCRTR2 (0.44) | PKMHCRTR2MAPTMEN1KMT2A | |
| SCHEMBL16613012 | 0.69 | MAPT (0.49) | PKMHCRTR2MAPTMEN1KMT2A | |
| SCHEMBL6529529 | 0.69 | PKM (0.47) | PKMNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL12478569 | 0.69 | HCRTR2 (0.46) | PKMHCRTR2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL8111889 | 0.68 | PKM (0.55) | PKMNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL1663037 | 0.68 | MEN1 (0.45) | PKMMAPTMEN1KMT2ALMNA |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |