Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.45 |
| ▸ | CASR | P41180 | 5/20 | 0.44 |
| ▸ | PDE2A | O00408 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433951 | 0.89 | AKR1C3 (0.50) | AKR1C3AKR1C2CASRMAPK1RORC | |
| SCHEMBL4441835 | 0.80 | CACNA1A (0.48) | AKR1C3AKR1C2LMNAMAPK1HTT | |
| SCHEMBL4434677 | 0.78 | CASR (0.45) | AKR1C3AKR1C2CASRMAPK1RORC | |
| SCHEMBL3733088 | 0.77 | TMEM97 (0.46) | CASRPDE2A | |
| SCHEMBL23960431 | 0.77 | CYP19A1 (0.54) | AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL10667796 | 0.73 | KIF11 (0.49) | PDE2ALMNAMAPK1HTTRAB9A | |
| SCHEMBL4441719 | 0.72 | AKR1C3 (0.46) | AKR1C3AKR1C2CASRMAPK1 | |
| SCHEMBL4432755 | 0.71 | AKR1C3 (0.51) | AKR1C3AKR1C2RORC | |
| SCHEMBL13906295 | 0.70 | CYP17A1 (0.56) | CASRRAB9AKIF11 | |
| SCHEMBL15561617 | 0.69 | LMNA (0.45) | PDE2ALMNAMAPK1HTTRAB9A |
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 |