Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 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 | |
|---|---|---|---|---|
| SCHEMBL4440506 | 0.89 | AKR1C3 (0.38) | AKR1C3AKR1C2POLB | |
| SCHEMBL4432365 | 0.83 | AKR1C3 (0.43) | HDAC4PPARGPPARAAKR1C3AKR1C2 | |
| SCHEMBL4435119 | 0.83 | KCNQ3 (0.41) | AKR1C3AKR1C2MDM2S1PR1S1PR3 | |
| SCHEMBL10882007 | 0.82 | BRD4 (0.63) | BRD4HDAC4HDAC7HDAC5S1PR1 | |
| SCHEMBL4430513 | 0.82 | PTGS2 (0.50) | — | |
| SCHEMBL2302536 | 0.81 | BRD4 (0.53) | BRD4HDAC4HDAC7HDAC5PPARG | |
| SCHEMBL4434008 | 0.80 | AKR1C3 (0.39) | HDAC4AKR1C3AKR1C2POLB | |
| SCHEMBL2302648 | 0.79 | HDAC4 (0.51) | BRD4HDAC4HDAC7HDAC5PPARG | |
| SCHEMBL28302075 | 0.79 | BRD4 (0.55) | BRD4HDAC4HDAC7HDAC5PPARG | |
| SCHEMBL4427963 | 0.78 | HDAC4 (0.42) | HDAC4HDAC7HDAC5 |
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 |