Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 6/20 | 0.46 |
| ▸ | PPARD | Q03181 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | CASR | P41180 | 4/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434646 | 0.89 | AKR1C3 (0.45) | AKR1C3AKR1C2CASRMAPK1CYP19A1 | |
| SCHEMBL4434677 | 0.86 | CASR (0.45) | AKR1C3AKR1C2PPARAPPARDPPARG | |
| SCHEMBL4441835 | 0.82 | CACNA1A (0.48) | AKR1C3AKR1C2MEN1ALOX15MAPK1 | |
| SCHEMBL4441719 | 0.82 | AKR1C3 (0.46) | AKR1C3AKR1C2PPARAPPARDPPARG | |
| SCHEMBL4432755 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2PPARAPPARDPPARG | |
| SCHEMBL25688714 | 0.78 | AKR1C3 (0.49) | AKR1C3AKR1C2PPARAPPARDPPARG | |
| SCHEMBL3737523 | 0.76 | PPARA (0.49) | AKR1C3AKR1C2PPARAPPARDPPARG | |
| SCHEMBL23960431 | 0.76 | CYP19A1 (0.54) | AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL4432373 | 0.75 | KDM4E (0.43) | AKR1C3AKR1C2CASRMEN1KMT2A | |
| SCHEMBL4435541 | 0.75 | EPHX2 (0.44) | AKR1C3AKR1C2PPARAPPARDCASR |
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 |