Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.40 |
| ▸ | NEK4 | P51957 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.40 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438360 | 0.79 | SORT1 (0.46) | BCHEKDRAHRAKR1C3AKR1C2 | |
| SCHEMBL4434012 | 0.73 | TRPM8 (0.42) | AHRNFE2L2 | |
| SCHEMBL4434628 | 0.72 | AKR1C3 (0.51) | MEN1KMT2AAKR1C3AKR1C2PDE2A | |
| SCHEMBL4432946 | 0.72 | FFAR1 (0.42) | KMT2AGSK3BAKR1C3AKR1C2PDE2A | |
| SCHEMBL29276323 | 0.72 | MAPT (0.38) | BCHEMEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL28251775 | 0.70 | TSHR (0.56) | AHRMEN1KMT2A | |
| SCHEMBL4441781 | 0.70 | MEN1 (0.41) | MEN1KMT2AAKR1C3AKR1C2PDE2A | |
| SCHEMBL4435069 | 0.70 | CES2 (0.41) | GSK3BAKR1C3AKR1C2 | |
| SCHEMBL4432350 | 0.69 | AKR1C3 (0.45) | AKR1C3AKR1C2GPR139 | |
| SCHEMBL4430480 | 0.69 | AKR1C3 (0.48) | MEN1KMT2AAKR1C3AKR1C2CYP1A1 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |