Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4429160 | 0.90 | PDE4A (0.43) | PDE4AS1PR3MAPTMEN1ALDH1A1 | |
| SCHEMBL4429325 | 0.90 | PDE4A (0.43) | PDE4AS1PR3MAPTMEN1ALDH1A1 | |
| SCHEMBL4434475 | 0.88 | PDE4A (0.41) | PDE4A | |
| SCHEMBL3740389 | 0.79 | F11 (0.39) | PDE4AS1PR3S1PR1MAPTMEN1 | |
| SCHEMBL4441767 | 0.79 | PDE4A (0.41) | PDE4AS1PR3MAPTMEN1ALDH1A1 | |
| SCHEMBL4432348 | 0.79 | FFAR1 (0.40) | PDE4AMEN1ALDH1A1LMNATP53 | |
| SCHEMBL4432136 | 0.79 | FFAR1 (0.40) | PDE4AMEN1ALDH1A1LMNATP53 | |
| Hydrochloric Acid SCHEMBL4434483 | 0.78 | FFAR1 (0.40) | PDE4AMEN1ALDH1A1LMNATP53 | |
| Hydrochloric Acid SCHEMBL4441407 | 0.78 | FFAR1 (0.40) | PDE4AMEN1ALDH1A1LMNATP53 | |
| SCHEMBL4438606 | 0.78 | PDE4A (0.42) | PDE4AALDH1A1 |
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 |