Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL4436057 | 0.77 | DYRK1A (0.48) | NPC1ALDH1A1DYRK1AMAPTMEN1 | |
| SCHEMBL2304585 | 0.71 | ACP3 (0.56) | NPC1ALDH1A1CES2CES1HSD11B1 | |
| SCHEMBL4435804 | 0.71 | HSD11B1 (0.45) | CES2CES1PDE2AHSD11B1 | |
| SCHEMBL4435069 | 0.70 | CES2 (0.41) | NPC1ALDH1A1CES2CES1FFAR1 | |
| SCHEMBL4432335 | 0.70 | CES2 (0.41) | CES2CES1PDE2AMAPT | |
| SCHEMBL4436009 | 0.69 | MEN1 (0.43) | ALDH1A1CES2CES1PDE2AHSD11B1 | |
| SCHEMBL4433211 | 0.69 | LMNA (0.41) | NPC1ALDH1A1CES2CES1PDE2A | |
| SCHEMBL4434570 | 0.69 | FFAR1 (0.44) | NPC1ALDH1A1CES2CES1FFAR1 | |
| SCHEMBL4432365 | 0.68 | AKR1C3 (0.43) | ALDH1A1CES2CES1PDE2A | |
| SCHEMBL4431036 | 0.68 | KCNQ3 (0.51) | ALDH1A1CES2CES1DYRK1A |
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 |