Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL4434628 | 0.79 | AKR1C3 (0.51) | AKR1C3AKR1C2PDE2AMAPT | |
| SCHEMBL4433940 | 0.79 | BCHE (0.42) | AKR1C3AKR1C2KDRPDE2ABCHE | |
| SCHEMBL4430480 | 0.75 | AKR1C3 (0.48) | AKR1C3AKR1C2MAPT | |
| SCHEMBL4434012 | 0.74 | TRPM8 (0.42) | TRPM8PTGDR2AHR | |
| SCHEMBL4438527 | 0.74 | CES2 (0.50) | AKR1C3AKR1C2HDAC4CES2CES1 | |
| SCHEMBL4431561 | 0.74 | AKR1C3 (0.48) | TRPM8AKR1C3AKR1C2HDAC4PDE2A | |
| SCHEMBL4432335 | 0.74 | CES2 (0.41) | AKR1C3AKR1C2PDE2AMAPTCES2 | |
| SCHEMBL4436028 | 0.73 | AKR1C3 (0.49) | AKR1C3AKR1C2PDE2A | |
| SCHEMBL4432351 | 0.73 | AKR1C3 (0.49) | AKR1C3AKR1C2PDE2AMAPT | |
| SCHEMBL2304585 | 0.73 | ACP3 (0.56) | NPC1CES2CES1 |
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 |