Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 14/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434555 | 0.84 | PDE4A (0.46) | PDE4AKCNH2 | |
| SCHEMBL4434628 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2MEN1MAPTKMT2A | |
| SCHEMBL4436028 | 0.83 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1KMT2ANPSR1 | |
| SCHEMBL4432351 | 0.83 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1MAPTKMT2A | |
| SCHEMBL4431369 | 0.83 | MEN1 (0.43) | FFAR1MEN1LMNAMAPTHTT | |
| SCHEMBL4430480 | 0.77 | AKR1C3 (0.48) | AKR1C3AKR1C2MEN1LMNAMAPT | |
| SCHEMBL4436353 | 0.77 | AKR1C3 (0.40) | AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL4438527 | 0.76 | CES2 (0.50) | AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4432335 | 0.76 | CES2 (0.41) | AKR1C3AKR1C2MAPTCES2CES1 | |
| SCHEMBL4431561 | 0.76 | AKR1C3 (0.48) | AKR1C3AKR1C2CES2CES1 |
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 |