Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441781 | 0.78 | MEN1 (0.41) | SLC6A3CES2CES1KMT2ACYP3A4 | |
| SCHEMBL4435069 | 0.75 | CES2 (0.41) | FFAR1SLC6A3CES2CES1CYP3A4 | |
| SCHEMBL4439322 | 0.74 | MCHR1 (0.41) | SLC6A3CES2CES1CYP3A4PDE2A | |
| SCHEMBL2304585 | 0.73 | ACP3 (0.56) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL4435804 | 0.73 | HSD11B1 (0.45) | CES2CES1PDE2AACP3SMN1; SMN2 | |
| SCHEMBL4433211 | 0.73 | LMNA (0.41) | SLC6A3CES2CES1CYP3A4PDE2A | |
| SCHEMBL4441849 | 0.72 | CTSA (0.38) | CES2CES1CYP3A4PDE2AACP3 | |
| SCHEMBL4433940 | 0.72 | BCHE (0.42) | KMT2APDE2AGSK3BAKR1C3AKR1C2 | |
| SCHEMBL4431036 | 0.70 | KCNQ3 (0.51) | CES2CES1CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL2240672 | 0.69 | FFAR1 (0.65) | FFAR1SLC6A3CHRM5 |
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 |