Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 3/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4432365 | 0.88 | AKR1C3 (0.43) | CES2CES1AKR1C3AKR1C2PDE2A | |
| SCHEMBL4441843 | 0.87 | CNR1 (0.43) | CES2CES1AKR1C3AKR1C2MTOR | |
| SCHEMBL4435426 | 0.87 | CNR1 (0.40) | CES2CES1AKR1C3AKR1C2PDE2A | |
| SCHEMBL4433937 | 0.81 | NR1I2 (0.38) | PPARDPPARA | |
| SCHEMBL4438527 | 0.81 | CES2 (0.50) | CES2CES1AKR1C3AKR1C2TACR1 | |
| SCHEMBL4431561 | 0.81 | AKR1C3 (0.48) | CES2CES1AKR1C3AKR1C2PDE2A | |
| SCHEMBL2304585 | 0.80 | ACP3 (0.56) | CES2CES1TACR1NR4A1NR4A2 | |
| SCHEMBL4441390 | 0.78 | CNR1 (0.43) | CES2CES1AKR1C3AKR1C2PDE2A | |
| SCHEMBL4434628 | 0.78 | AKR1C3 (0.51) | AKR1C3AKR1C2MAPTPDE2APPARG | |
| SCHEMBL4436009 | 0.77 | MEN1 (0.43) | CES2CES1MAPTPDE2ATACR1 |
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 |