Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 3/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612941 | 0.84 | IP6K1 (0.46) | KIF11 | |
| SCHEMBL17746046 | 0.84 | MAPK14 (0.45) | GSK3BADORA2AMEN1KMT2A | |
| SCHEMBL5546097 | 0.82 | ADORA2A (0.54) | GSK3BADORA2AMEN1KMT2APTPN1 | |
| SCHEMBL15189739 | 0.78 | GSK3B (0.51) | GSK3BMEN1KMT2A | |
| SCHEMBL1167311 | 0.78 | GSK3B (0.60) | GSK3BKIF11ADORA2AMEN1KMT2A | |
| SCHEMBL10432319 | 0.74 | KMO (0.43) | GSK3B | |
| SCHEMBL16612810 | 0.74 | MCL1 (0.38) | ADORA2AKMT2A | |
| SCHEMBL16612958 | 0.74 | STK17B (0.43) | GSK3BMEN1KMT2A | |
| SCHEMBL8059585 | 0.74 | GSK3B (0.58) | GSK3BADORA2ATRPV1IKBKB | |
| SCHEMBL16612795 | 0.73 | KDM4E (0.43) | ADORA2AMEN1KMT2A |
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 | claimed |